(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C22H22ClN3O4S — CID 28542536

IUPAC(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C22H22ClN3O4S/c1-30-20-8-7-18(23)14-21(20)31(28,29)26-19(13-16-5-3-2-4-6-16)22(27)25-15-17-9-11-24-12-10-17/h2-12,14,19,26H,13,15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyHALTYMVAZWGPRH-IBGZPJMESA-N
MW459.96 g/mol
LogP2.95
Rot. Bonds9

About (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 28542536) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID28542536
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C22H22ClN3O4S/c1-30-20-8-7-18(23)14-21(20)31(28,29)26-19(13-16-5-3-2-4-6-16)22(27)25-15-17-9-11-24-12-10-17/h2-12,14,19,26H,13,15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyHALTYMVAZWGPRH-IBGZPJMESA-N
XLogP2.95
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide 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)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28538234
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542725
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 28542728
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43891317
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 28542390
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 28542536) is (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is HALTYMVAZWGPRH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-30-20-8-7-18(23)14-21(20)31(28,29)26-19(13-16-5-3-2-4-6-16)22(27)25-15-17-9-11-24-12-10-17/h2-12,14,19,26H,13,15H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 459.96 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 28542536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).