(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

C30H28N4O3S — CID 69066647

IUPAC(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2n[nH]c3cc(-c4cccc(C)c4)ccc23)cc1
InChIInChI=1S/C30H28N4O3S/c1-20-11-14-25(15-12-20)38(36,37)34-28(18-22-8-4-3-5-9-22)30(35)31-29-26-16-13-24(19-27(26)32-33-29)23-10-6-7-21(2)17-23/h3-17,19,28,34H,18H2,1-2H3,(H2,31,32,33,35)/t28-/m0/s1
InChIKeyVSHCKSKYJRLAIR-NDEPHWFRSA-N
MW524.65 g/mol
LogP5.38
Rot. Bonds8

About (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide

(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 69066647) has the molecular formula C30H28N4O3S and a molecular weight of 524.65 g/mol. Its IUPAC name is (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID69066647
Molecular FormulaC30H28N4O3S
Molecular Weight524.65 g/mol
Exact Mass524.19
IUPAC Name(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2n[nH]c3cc(-c4cccc(C)c4)ccc23)cc1
InChIInChI=1S/C30H28N4O3S/c1-20-11-14-25(15-12-20)38(36,37)34-28(18-22-8-4-3-5-9-22)30(35)31-29-26-16-13-24(19-27(26)32-33-29)23-10-6-7-21(2)17-23/h3-17,19,28,34H,18H2,1-2H3,(H2,31,32,33,35)/t28-/m0/s1
InChIKeyVSHCKSKYJRLAIR-NDEPHWFRSA-N
XLogP5.38
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.65
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide 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-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3335018
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 15336479
(2S)-N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540746
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 3578188
(2R)-N-(3-chloro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208439
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28541662
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3690831

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 69066647) is (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2n[nH]c3cc(-c4cccc(C)c4)ccc23)cc1.
What is the InChIKey of (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is VSHCKSKYJRLAIR-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H28N4O3S/c1-20-11-14-25(15-12-20)38(36,37)34-28(18-22-8-4-3-5-9-22)30(35)31-29-26-16-13-24(19-27(26)32-33-29)23-10-6-7-21(2)17-23/h3-17,19,28,34H,18H2,1-2H3,(H2,31,32,33,35)/t28-/m0/s1.
What are the key properties of (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide?
(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 524.65 g/mol, XLogP of 5.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 69066647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).