3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide

C18H25N3O3S — CID 113146748

IUPAC3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCCCC1)c1ccccc1C#N
InChIInChI=1S/C18H25N3O3S/c1-25(23,24)21(17-11-7-6-8-15(17)14-19)13-12-18(22)20-16-9-4-2-3-5-10-16/h6-8,11,16H,2-5,9-10,12-13H2,1H3,(H,20,22)
InChIKeyDDRZFYWGYBMPAX-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.55
Rot. Bonds6

About 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide

3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide (PubChem CID 113146748) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
PubChem CID113146748
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCCCC1)c1ccccc1C#N
InChIInChI=1S/C18H25N3O3S/c1-25(23,24)21(17-11-7-6-8-15(17)14-19)13-12-18(22)20-16-9-4-2-3-5-10-16/h6-8,11,16H,2-5,9-10,12-13H2,1H3,(H,20,22)
InChIKeyDDRZFYWGYBMPAX-UHFFFAOYSA-N
XLogP2.55
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 113157125
1-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113072205
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
N-cyclopentyl-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146243
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
3-(2-cyano-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113146724
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
methyl 3-[[3-(cyclohexylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145595
N-cycloheptyl-3-(2,5-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145111
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide?
The IUPAC name of 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide (CID 113146748) is 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide.
What is the SMILES notation for 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide?
The canonical SMILES for 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide is CS(=O)(=O)N(CCC(=O)NC1CCCCCC1)c1ccccc1C#N.
What is the InChIKey of 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide?
The InChIKey is DDRZFYWGYBMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-25(23,24)21(17-11-7-6-8-15(17)14-19)13-12-18(22)20-16-9-4-2-3-5-10-16/h6-8,11,16H,2-5,9-10,12-13H2,1H3,(H,20,22).
What are the key properties of 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide?
3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide has a molecular weight of 363.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide is sourced from PubChem (CID 113146748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).