(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide

C20H25ClN2O3S — CID 56536513

IUPAC(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-15(2)23(14-17-8-6-5-7-9-17)20(24)16(3)22-27(25,26)19-12-10-18(21)11-13-19/h5-13,15-16,22H,4,14H2,1-3H3/t15?,16-/m0/s1
InChIKeyMUTSYEQRUZKWNB-LYKKTTPLSA-N
MW408.95 g/mol
LogP3.83
Rot. Bonds8

About (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide

(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 56536513) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID56536513
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-15(2)23(14-17-8-6-5-7-9-17)20(24)16(3)22-27(25,26)19-12-10-18(21)11-13-19/h5-13,15-16,22H,4,14H2,1-3H3/t15?,16-/m0/s1
InChIKeyMUTSYEQRUZKWNB-LYKKTTPLSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55347038
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
N-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430
(2S)-N-[(2-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 55943594
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[2-[(4-chlorophenyl)sulfonylamino]propanoyl-methylamino]-2-methylpropanoic acid
CID 119200404
N-butan-2-yl-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052721
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoic acid
CID 51715390

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide (CID 56536513) is (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide is CCC(C)N(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is MUTSYEQRUZKWNB-LYKKTTPLSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-15(2)23(14-17-8-6-5-7-9-17)20(24)16(3)22-27(25,26)19-12-10-18(21)11-13-19/h5-13,15-16,22H,4,14H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide?
(2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 408.95 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 56536513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).