(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide

C33H29N7O3S — CID 167366752

IUPAC(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)cc1
InChIInChI=1S/C33H29N7O3S/c1-21-11-13-25(14-12-21)44(42,43)40-31(17-23-8-4-3-5-9-23)33(41)37-24-18-30-28(34-19-24)16-15-27(38-30)26-20-35-39-32(26)29-10-6-7-22(2)36-29/h3-16,18-20,31,40H,17H2,1-2H3,(H,35,39)(H,37,41)/t31-/m0/s1
InChIKeyALGXVTBZGOIVGI-HKBQPEDESA-N
MW603.71 g/mol
LogP5.23
Rot. Bonds9

About (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide (PubChem CID 167366752) has the molecular formula C33H29N7O3S and a molecular weight of 603.71 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide
PubChem CID167366752
Molecular FormulaC33H29N7O3S
Molecular Weight603.71 g/mol
Exact Mass603.21
IUPAC Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)cc1
InChIInChI=1S/C33H29N7O3S/c1-21-11-13-25(14-12-21)44(42,43)40-31(17-23-8-4-3-5-9-23)33(41)37-24-18-30-28(34-19-24)16-15-27(38-30)26-20-35-39-32(26)29-10-6-7-22(2)36-29/h3-16,18-20,31,40H,17H2,1-2H3,(H,35,39)(H,37,41)/t31-/m0/s1
InChIKeyALGXVTBZGOIVGI-HKBQPEDESA-N
XLogP5.23
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.71
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-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
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3335018
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 15336479
(2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 41374212
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
(2S)-N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540746
(2S)-N-[6-(3-methylphenyl)-1H-indazol-3-yl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 69066647
(2R)-N-(3-chloro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208439
(2S)-N-(3-acetylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541081
(2S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540814
N-[4-[[[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]sulfamoyl]phenyl]benzamide
CID 171980397
2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 167366803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide (CID 167366752) is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cnc3ccc(-c4cn[nH]c4-c4cccc(C)n4)nc3c2)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide?
The InChIKey is ALGXVTBZGOIVGI-HKBQPEDESA-N. The full InChI is InChI=1S/C33H29N7O3S/c1-21-11-13-25(14-12-21)44(42,43)40-31(17-23-8-4-3-5-9-23)33(41)37-24-18-30-28(34-19-24)16-15-27(38-30)26-20-35-39-32(26)29-10-6-7-22(2)36-29/h3-16,18-20,31,40H,17H2,1-2H3,(H,35,39)(H,37,41)/t31-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide?
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide has a molecular weight of 603.71 g/mol, XLogP of 5.23, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 167366752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).