(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide

C21H26N2O5S — CID 8572325

IUPAC(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-14(2)12-20(21(25)22-17-7-5-6-16(13-17)15(3)24)23-29(26,27)19-10-8-18(28-4)9-11-19/h5-11,13-14,20,23H,12H2,1-4H3,(H,22,25)/t20-/m0/s1
InChIKeyJKJLFCCMAHTZSW-FQEVSTJZSA-N
MW418.52 g/mol
LogP3.23
Rot. Bonds9

About (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide

(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide (PubChem CID 8572325) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
PubChem CID8572325
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-14(2)12-20(21(25)22-17-7-5-6-16(13-17)15(3)24)23-29(26,27)19-10-8-18(28-4)9-11-19/h5-11,13-14,20,23H,12H2,1-4H3,(H,22,25)/t20-/m0/s1
InChIKeyJKJLFCCMAHTZSW-FQEVSTJZSA-N
XLogP3.23
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890775
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928378
methyl 3-[[2-[2-[(4-methoxyphenyl)sulfonylamino]propanoyloxy]acetyl]amino]benzoate
CID 55323585
N-(3-acetylphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870823
N-(3-methoxyphenyl)-4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20864181
methyl 3-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]benzoate
CID 110499298
(2S)-N-(3-acetylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541081
(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)pentanamide
CID 9411090
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
methyl 4-[[(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]amino]benzoate
CID 7965936
N-(4-methoxyphenyl)-4-methyl-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]pentanamide
CID 20949427

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide (CID 8572325) is (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide is COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
The InChIKey is JKJLFCCMAHTZSW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-14(2)12-20(21(25)22-17-7-5-6-16(13-17)15(3)24)23-29(26,27)19-10-8-18(28-4)9-11-19/h5-11,13-14,20,23H,12H2,1-4H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide?
(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide has a molecular weight of 418.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide is sourced from PubChem (CID 8572325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).