N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide

C14H18N2O3S — CID 16749788

IUPACN-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)S(=O)(=O)c1cccc(C)c1C#N
InChIInChI=1S/C14H18N2O3S/c1-5-16(14(17)10(2)3)20(18,19)13-8-6-7-11(4)12(13)9-15/h6-8,10H,5H2,1-4H3
InChIKeyKPGMZORYLBBVQX-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.06
Rot. Bonds4

About N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide

N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide (PubChem CID 16749788) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide
PubChem CID16749788
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)S(=O)(=O)c1cccc(C)c1C#N
InChIInChI=1S/C14H18N2O3S/c1-5-16(14(17)10(2)3)20(18,19)13-8-6-7-11(4)12(13)9-15/h6-8,10H,5H2,1-4H3
InChIKeyKPGMZORYLBBVQX-UHFFFAOYSA-N
XLogP2.06
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(2-cyano-3-methylphenyl)sulfonyl-N-ethylcarbamate
CID 16749845
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2-cyano-3-methyl-N-(2-methylbutyl)benzenesulfonamide
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2-(2-cyano-3-methylanilino)-N-methyl-N-propan-2-ylacetamide
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2-cyano-N-(1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 86043312
2-methyl-6-propanoylbenzonitrile
CID 130951607
2-cyano-N-methoxy-3-methylbenzenesulfonamide
CID 86043278
2-cyano-N-(3,3-dimethylbutan-2-ylidene)-3-methylbenzenesulfonamide
CID 73321099
N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide
CID 86043324
3-[(2-cyano-3-methylphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 138045412
2-(3-hydroxy-5-methylphenyl)sulfonyl-6-methylbenzonitrile
CID 101137683

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide (CID 16749788) is N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide is CCN(C(=O)C(C)C)S(=O)(=O)c1cccc(C)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide?
The InChIKey is KPGMZORYLBBVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-16(14(17)10(2)3)20(18,19)13-8-6-7-11(4)12(13)9-15/h6-8,10H,5H2,1-4H3.
What are the key properties of N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide?
N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide has a molecular weight of 294.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)sulfonyl-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 16749788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).