(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide

C19H23ClN2O3S — CID 51886343

IUPAC(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
SMILESCC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)18(15-8-5-4-6-9-15)21-19(23)14(3)22-26(24,25)17-11-7-10-16(20)12-17/h4-14,18,22H,1-3H3,(H,21,23)/t14-,18+/m0/s1
InChIKeyFDYHDXMRZJDVSH-KBXCAEBGSA-N
MW394.92 g/mol
LogP3.52
Rot. Bonds7

About (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide

(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide (PubChem CID 51886343) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
PubChem CID51886343
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
SMILESCC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O3S/c1-13(2)18(15-8-5-4-6-9-15)21-19(23)14(3)22-26(24,25)17-11-7-10-16(20)12-17/h4-14,18,22H,1-3H3,(H,21,23)/t14-,18+/m0/s1
InChIKeyFDYHDXMRZJDVSH-KBXCAEBGSA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121
3-chloro-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 9366029
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
CID 8844641
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
CID 43346667
2-[(3-chlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 81076518
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9319554

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide?
The IUPAC name of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide (CID 51886343) is (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide.
What is the SMILES notation for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide?
The canonical SMILES for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide is CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide?
The InChIKey is FDYHDXMRZJDVSH-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-13(2)18(15-8-5-4-6-9-15)21-19(23)14(3)22-26(24,25)17-11-7-10-16(20)12-17/h4-14,18,22H,1-3H3,(H,21,23)/t14-,18+/m0/s1.
What are the key properties of (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide?
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide has a molecular weight of 394.92 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide is sourced from PubChem (CID 51886343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).