2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide

C14H19N3O3S — CID 95382709

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide
SMILESCC[C@@](C)(C#N)NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19N3O3S/c1-4-14(2,11-15)16-13(18)10-17(3)21(19,20)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyVLVHQROSGBUHGM-AWEZNQCLSA-N
MW309.39 g/mol
LogP1.12
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide (PubChem CID 95382709) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide
PubChem CID95382709
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide
SMILESCC[C@@](C)(C#N)NC(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19N3O3S/c1-4-14(2,11-15)16-13(18)10-17(3)21(19,20)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,16,18)/t14-/m0/s1
InChIKeyVLVHQROSGBUHGM-AWEZNQCLSA-N
XLogP1.12
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 119605589
2-[benzenesulfonyl(methyl)amino]-N-pentylacetamide
CID 40604128
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
2-[benzenesulfonyl(methyl)amino]-N-[3-(methylamino)propyl]acetamide
CID 119429589
N-tert-butyl-2-[methyl-(2-phenylphenyl)sulfonylamino]acetamide
CID 86922586
2-[benzenesulfonyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26944736
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide (CID 95382709) is 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide is CC[C@@](C)(C#N)NC(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide?
The InChIKey is VLVHQROSGBUHGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-14(2,11-15)16-13(18)10-17(3)21(19,20)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,16,18)/t14-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(2S)-2-cyanobutan-2-yl]acetamide is sourced from PubChem (CID 95382709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).