(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide

C18H22N2O3S — CID 20792319

IUPAC(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)C[C@@H](N)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14(21)16-8-5-9-18(12-16)20-24(22,23)13-17(19)11-10-15-6-3-2-4-7-15/h2-9,12,17,20H,10-11,13,19H2,1H3/t17-/m0/s1
InChIKeyURIQGGVVYPQTQU-KRWDZBQOSA-N
MW346.45 g/mol
LogP2.59
Rot. Bonds8

About (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide

(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide (PubChem CID 20792319) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide
PubChem CID20792319
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)C[C@@H](N)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O3S/c1-14(21)16-8-5-9-18(12-16)20-24(22,23)13-17(19)11-10-15-6-3-2-4-7-15/h2-9,12,17,20H,10-11,13,19H2,1H3/t17-/m0/s1
InChIKeyURIQGGVVYPQTQU-KRWDZBQOSA-N
XLogP2.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide 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

1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
CID 75598820
N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769711
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
4-[(3-acetylphenyl)sulfamoyl]butanoic acid
CID 28513930
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
(3-acetylphenyl)sulfamic acid
CID 12629151
1-methylsulfonyl-4-phenylbutan-2-amine
CID 115601043
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-phenylpropanoate
CID 7654441
1-(3-acetylphenyl)-3-benzylthiourea
CID 839523

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide (CID 20792319) is (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)C[C@@H](N)CCc2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide?
The InChIKey is URIQGGVVYPQTQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(21)16-8-5-9-18(12-16)20-24(22,23)13-17(19)11-10-15-6-3-2-4-7-15/h2-9,12,17,20H,10-11,13,19H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide?
(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide is sourced from PubChem (CID 20792319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).