(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide

C19H23N3O6S — CID 51953771

IUPAC(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCOC2=O)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C19H23N3O6S/c23-17-9-14(11-22(17)16-4-7-29(26,27)12-16)18(24)20-15-3-1-2-13(8-15)10-21-5-6-28-19(21)25/h1-3,8,14,16H,4-7,9-12H2,(H,20,24)/t14-,16-/m1/s1
InChIKeyMNXAEMVTMKXNRN-GDBMZVCRSA-N
MW421.48 g/mol
LogP0.61
Rot. Bonds5

About (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide

(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 51953771) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID51953771
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCOC2=O)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1
InChIInChI=1S/C19H23N3O6S/c23-17-9-14(11-22(17)16-4-7-29(26,27)12-16)18(24)20-15-3-1-2-13(8-15)10-21-5-6-28-19(21)25/h1-3,8,14,16H,4-7,9-12H2,(H,20,24)/t14-,16-/m1/s1
InChIKeyMNXAEMVTMKXNRN-GDBMZVCRSA-N
XLogP0.61
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184838
1-(1,1-dioxothiolan-3-yl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184836
1-(1,1-dioxothiolan-3-yl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184801
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 51727389
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 51939886
1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 43066354
1-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184750
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240650
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 51939784
N-(2,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184794

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide (CID 51953771) is (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(CN2CCOC2=O)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1.
What is the InChIKey of (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MNXAEMVTMKXNRN-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H23N3O6S/c23-17-9-14(11-22(17)16-4-7-29(26,27)12-16)18(24)20-15-3-1-2-13(8-15)10-21-5-6-28-19(21)25/h1-3,8,14,16H,4-7,9-12H2,(H,20,24)/t14-,16-/m1/s1.
What are the key properties of (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide?
(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51953771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).