2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide

C15H21N3O3S — CID 134044336

IUPAC2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-5-15(2,3)17-14(19)11-18(22(4,20)21)13-8-6-7-12(9-13)10-16/h6-9H,5,11H2,1-4H3,(H,17,19)
InChIKeyWOCBFPJDJNYRCX-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.63
Rot. Bonds6

About 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide

2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 134044336) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
PubChem CID134044336
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-5-15(2,3)17-14(19)11-18(22(4,20)21)13-8-6-7-12(9-13)10-16/h6-9H,5,11H2,1-4H3,(H,17,19)
InChIKeyWOCBFPJDJNYRCX-UHFFFAOYSA-N
XLogP1.63
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 30218239
N-(4-butan-2-ylphenyl)-2-(3-cyano-N-methylsulfonylanilino)acetamide
CID 17485358
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
N-[2-(3-cyano-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072229
2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157287
N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278
N-[1-(1-adamantyl)ethyl]-2-(3-cyano-N-methylsulfonylanilino)acetamide
CID 42937091
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide (CID 134044336) is 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is WOCBFPJDJNYRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-5-15(2,3)17-14(19)11-18(22(4,20)21)13-8-6-7-12(9-13)10-16/h6-9H,5,11H2,1-4H3,(H,17,19).
What are the key properties of 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide?
2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 134044336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).