(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C23H25N3O4S — CID 30167436

IUPAC(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-30-20-8-10-21(11-9-20)31(28,29)26-22(16-18-6-4-3-5-7-18)23(27)25-17-19-12-14-24-15-13-19/h3-15,22,26H,2,16-17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyHWTWOVSBDBJTGP-QFIPXVFZSA-N
MW439.54 g/mol
LogP2.69
Rot. Bonds10

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

(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 30167436) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID30167436
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-30-20-8-10-21(11-9-20)31(28,29)26-22(16-18-6-4-3-5-7-18)23(27)25-17-19-12-14-24-15-13-19/h3-15,22,26H,2,16-17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyHWTWOVSBDBJTGP-QFIPXVFZSA-N
XLogP2.69
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-ethoxyphenyl)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

(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 30167342
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 30167351
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28538234
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167333
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 30167334
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 30167382
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
methyl 2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 78516433
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 30167436) is (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)cc1.
What is the InChIKey of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is HWTWOVSBDBJTGP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-2-30-20-8-10-21(11-9-20)31(28,29)26-22(16-18-6-4-3-5-7-18)23(27)25-17-19-12-14-24-15-13-19/h3-15,22,26H,2,16-17H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 439.54 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 30167436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).