(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C16H23N3O5S — CID 9301672

IUPAC(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23N3O5S/c1-10(2)18-15(21)9-17-16(22)11(3)19-25(23,24)14-7-5-13(6-8-14)12(4)20/h5-8,10-11,19H,9H2,1-4H3,(H,17,22)(H,18,21)/t11-/m0/s1
InChIKeyKFYWJTOYHJNBAZ-NSHDSACASA-N
MW369.44 g/mol
LogP0.20
Rot. Bonds8

About (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 9301672) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID9301672
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H23N3O5S/c1-10(2)18-15(21)9-17-16(22)11(3)19-25(23,24)14-7-5-13(6-8-14)12(4)20/h5-8,10-11,19H,9H2,1-4H3,(H,17,22)(H,18,21)/t11-/m0/s1
InChIKeyKFYWJTOYHJNBAZ-NSHDSACASA-N
XLogP0.20
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994023
(2S)-2-[(4-acetylphenyl)sulfonylamino]propanoic acid
CID 2080939
(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270223
2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 62639289
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
2-[(4-acetylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408013
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 9301672) is (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)NC(C)C)cc1.
What is the InChIKey of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is KFYWJTOYHJNBAZ-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-10(2)18-15(21)9-17-16(22)11(3)19-25(23,24)14-7-5-13(6-8-14)12(4)20/h5-8,10-11,19H,9H2,1-4H3,(H,17,22)(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
(2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 369.44 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetylphenyl)sulfonylamino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 9301672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).