(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide

C19H23N3O4S — CID 24537281

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-15-5-7-17(8-6-15)21-19(24)13(2)22-27(25,26)18-11-9-16(10-12-18)20-14(3)23/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyHFDWGXAKEXGRDX-ZDUSSCGKSA-N
MW389.48 g/mol
LogP2.51
Rot. Bonds7

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide (PubChem CID 24537281) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
PubChem CID24537281
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-4-15-5-7-17(8-6-15)21-19(24)13(2)22-27(25,26)18-11-9-16(10-12-18)20-14(3)23/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyHFDWGXAKEXGRDX-ZDUSSCGKSA-N
XLogP2.51
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide (CID 24537281) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide?
The InChIKey is HFDWGXAKEXGRDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-4-15-5-7-17(8-6-15)21-19(24)13(2)22-27(25,26)18-11-9-16(10-12-18)20-14(3)23/h5-13,22H,4H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 24537281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).