N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C13H19ClN2O3S — CID 2583856

IUPACN-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-4-10(2)15-13(17)9-16(3)20(18,19)12-7-5-11(14)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyIVUPYXGRAQOYGQ-JTQLQIEISA-N
MW318.83 g/mol
LogP1.88
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 2583856) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID2583856
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-4-10(2)15-13(17)9-16(3)20(18,19)12-7-5-11(14)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyIVUPYXGRAQOYGQ-JTQLQIEISA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]acetamide
CID 100526151
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100667509
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide
CID 120828067
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 2292687
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26085188
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 133184574
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-pentan-3-ylacetamide
CID 17434301

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 2583856) is N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CC[C@H](C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is IVUPYXGRAQOYGQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-10(2)15-13(17)9-16(3)20(18,19)12-7-5-11(14)6-8-12/h5-8,10H,4,9H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 318.83 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 2583856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).