(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one

C110H119F3N12O14S2 — CID 158018461

IUPAC(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one
SMILESCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)C(C)C)C(=O)C(F)(F)F.Cc1cccc(-n2c(C)c(-c3ccnn3C)cc(C(=O)C(C)(C)C)c2=O)c1.[C-]#[N+]c1ccc(-n2nccc2-c2cc(C(=O)C(C)(C)C)c(=O)n(-c3cccc(C)c3)c2C)cc1.[C-]#[N+]c1ccc(S(=O)c2cc(C(=O)C(C)(C)C)c(=O)n(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C35H44F3N3O7S.C28H26N4O2.C25H24N2O3S.C22H25N3O2/c1-20(2)26(33(46)41-18-8-9-27(41)32(45)39-29(21(3)4)30(43)35(36,37)38)19-28(42)22-10-12-23(13-11-22)31(44)40-49(47,48)25-16-14-24(15-17-25)34(5,6)7;1-18-8-7-9-22(16-18)31-19(2)23(17-24(27(31)34)26(33)28(3,4)5)25-14-15-30-32(25)21-12-10-20(29-6)11-13-21;1-16-8-7-9-19(14-16)27-17(2)22(15-21(24(27)29)23(28)25(3,4)5)31(30)20-12-10-18(26-6)11-13-20;1-14-8-7-9-16(12-14)25-15(2)17(19-10-11-23-24(19)6)13-18(21(25)27)20(26)22(3,4)5/h10-17,20-21,26-27,29H,8-9,18-19H2,1-7H3,(H,39,45)(H,40,44);7-17H,1-5H3;7-15H,1-5H3;7-13H,1-6H3/t26-,27-,29?;;;/m0.../s1
InChIKeyFFTPRBLDENSSKI-BXBGZFOWSA-N
MW1954.36 g/mol
LogP20.78
Rot. Bonds23

About (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one

(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one (PubChem CID 158018461) has the molecular formula C110H119F3N12O14S2 and a molecular weight of 1954.36 g/mol. Its IUPAC name is (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one
PubChem CID158018461
Molecular FormulaC110H119F3N12O14S2
Molecular Weight1954.36 g/mol
Exact Mass1952.84
IUPAC Name(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one
SMILESCC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)C(C)C)C(=O)C(F)(F)F.Cc1cccc(-n2c(C)c(-c3ccnn3C)cc(C(=O)C(C)(C)C)c2=O)c1.[C-]#[N+]c1ccc(-n2nccc2-c2cc(C(=O)C(C)(C)C)c(=O)n(-c3cccc(C)c3)c2C)cc1.[C-]#[N+]c1ccc(S(=O)c2cc(C(=O)C(C)(C)C)c(=O)n(-c3cccc(C)c3)c2C)cc1
InChIInChI=1S/C35H44F3N3O7S.C28H26N4O2.C25H24N2O3S.C22H25N3O2/c1-20(2)26(33(46)41-18-8-9-27(41)32(45)39-29(21(3)4)30(43)35(36,37)38)19-28(42)22-10-12-23(13-11-22)31(44)40-49(47,48)25-16-14-24(15-17-25)34(5,6)7;1-18-8-7-9-22(16-18)31-19(2)23(17-24(27(31)34)26(33)28(3,4)5)25-14-15-30-32(25)21-12-10-20(29-6)11-13-21;1-16-8-7-9-19(14-16)27-17(2)22(15-21(24(27)29)23(28)25(3,4)5)31(30)20-12-10-18(26-6)11-13-20;1-14-8-7-9-16(12-14)25-15(2)17(19-10-11-23-24(19)6)13-18(21(25)27)20(26)22(3,4)5/h10-17,20-21,26-27,29H,8-9,18-19H2,1-7H3,(H,39,45)(H,40,44);7-17H,1-5H3;7-15H,1-5H3;7-13H,1-6H3/t26-,27-,29?;;;/m0.../s1
InChIKeyFFTPRBLDENSSKI-BXBGZFOWSA-N
XLogP20.78
TPSA325.43 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds23
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001954.36
LogP ≤ 520.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one;(2S)-1-[(2S)-4-[4-(2,2-dimethylpropanoyl)phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 158510436
(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one
CID 159343191
(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-5,5-dimethyl-4-oxo-2-propan-2-ylhexanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one;(2S)-1-[(2S)-4-[4-(2,2-dimethylpropanoyl)phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 161877579

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one?
The IUPAC name of (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one (CID 158018461) is (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one.
What is the SMILES notation for (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one?
The canonical SMILES for (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one is CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)C(C)C)C(=O)C(F)(F)F.Cc1cccc(-n2c(C)c(-c3ccnn3C)cc(C(=O)C(C)(C)C)c2=O)c1.[C-]#[N+]c1ccc(-n2nccc2-c2cc(C(=O)C(C)(C)C)c(=O)n(-c3cccc(C)c3)c2C)cc1.[C-]#[N+]c1ccc(S(=O)c2cc(C(=O)C(C)(C)C)c(=O)n(-c3cccc(C)c3)c2C)cc1.
What is the InChIKey of (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one?
The InChIKey is FFTPRBLDENSSKI-BXBGZFOWSA-N. The full InChI is InChI=1S/C35H44F3N3O7S.C28H26N4O2.C25H24N2O3S.C22H25N3O2/c1-20(2)26(33(46)41-18-8-9-27(41)32(45)39-29(21(3)4)30(43)35(36,37)38)19-28(42)22-10-12-23(13-11-22)31(44)40-49(47,48)25-16-14-24(15-17-25)34(5,6)7;1-18-8-7-9-22(16-18)31-19(2)23(17-24(27(31)34)26(33)28(3,4)5)25-14-15-30-32(25)21-12-10-20(29-6)11-13-21;1-16-8-7-9-19(14-16)27-17(2)22(15-21(24(27)29)23(28)25(3,4)5)31(30)20-12-10-18(26-6)11-13-20;1-14-8-7-9-16(12-14)25-15(2)17(19-10-11-23-24(19)6)13-18(21(25)27)20(26)22(3,4)5/h10-17,20-21,26-27,29H,8-9,18-19H2,1-7H3,(H,39,45)(H,40,44);7-17H,1-5H3;7-15H,1-5H3;7-13H,1-6H3/t26-,27-,29?;;;/m0.../s1.
What are the key properties of (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one?
(2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one has a molecular weight of 1954.36 g/mol, XLogP of 20.78, 23 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-4-[4-[(4-tert-butylphenyl)sulfonylcarbamoyl]phenyl]-4-oxo-2-propan-2-ylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide;3-(2,2-dimethylpropanoyl)-5-[2-(4-isocyanophenyl)pyrazol-3-yl]-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-5-(4-isocyanophenyl)sulfinyl-6-methyl-1-(3-methylphenyl)pyridin-2-one;3-(2,2-dimethylpropanoyl)-6-methyl-1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pyridin-2-one is sourced from PubChem (CID 158018461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).