(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C23H32N4O3S — CID 95277885

IUPAC(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1
InChIInChI=1S/C23H32N4O3S/c1-16-10-12-17(13-11-16)31(29,30)26-14-6-9-21(26)22(28)25-19-7-5-8-20-18(19)15-24-27(20)23(2,3)4/h10-13,15,19,21H,5-9,14H2,1-4H3,(H,25,28)/t19-,21+/m1/s1
InChIKeyKNWFPDHPCYBMMD-CTNGQTDRSA-N
MW444.60 g/mol
LogP3.29
Rot. Bonds4

About (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 95277885) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID95277885
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1
InChIInChI=1S/C23H32N4O3S/c1-16-10-12-17(13-11-16)31(29,30)26-14-6-9-21(26)22(28)25-19-7-5-8-20-18(19)15-24-27(20)23(2,3)4/h10-13,15,19,21H,5-9,14H2,1-4H3,(H,25,28)/t19-,21+/m1/s1
InChIKeyKNWFPDHPCYBMMD-CTNGQTDRSA-N
XLogP3.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide 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)-N-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55929659
(2R)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 124726712
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-2-carboxamide
CID 75358107
(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
CID 38814292
4-acetyl-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]benzenesulfonamide
CID 51961532
(2S)-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55941997
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S,3R)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94137013
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 124742117
2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 18510639

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 95277885) is (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)cc1.
What is the InChIKey of (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is KNWFPDHPCYBMMD-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-16-10-12-17(13-11-16)31(29,30)26-14-6-9-21(26)22(28)25-19-7-5-8-20-18(19)15-24-27(20)23(2,3)4/h10-13,15,19,21H,5-9,14H2,1-4H3,(H,25,28)/t19-,21+/m1/s1.
What are the key properties of (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95277885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).