N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide

C18H25N3O3S — CID 113141082

IUPACN-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1C#N)C1CCCCCC1
InChIInChI=1S/C18H25N3O3S/c1-25(23,24)21(16-9-4-2-3-5-10-16)13-12-18(22)20-17-11-7-6-8-15(17)14-19/h6-8,11,16H,2-5,9-10,12-13H2,1H3,(H,20,22)
InChIKeyHYFIXMNLLPCBTE-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.87
Rot. Bonds6

About N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide

N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide (PubChem CID 113141082) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
PubChem CID113141082
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccccc1C#N)C1CCCCCC1
InChIInChI=1S/C18H25N3O3S/c1-25(23,24)21(16-9-4-2-3-5-10-16)13-12-18(22)20-17-11-7-6-8-15(17)14-19/h6-8,11,16H,2-5,9-10,12-13H2,1H3,(H,20,22)
InChIKeyHYFIXMNLLPCBTE-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
3-[cyclopentyl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137315
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
N-(2-cyanophenyl)-3-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]propanamide
CID 55626339
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
N-(4-acetylphenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137489
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152434
N-(2-cyanophenyl)-2-cyclohexylsulfonylacetamide
CID 64692861
3-[cyclopropyl(methylsulfonyl)amino]-N-phenylpropanamide
CID 113136332
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide (CID 113141082) is N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccccc1C#N)C1CCCCCC1.
What is the InChIKey of N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
The InChIKey is HYFIXMNLLPCBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-25(23,24)21(16-9-4-2-3-5-10-16)13-12-18(22)20-17-11-7-6-8-15(17)14-19/h6-8,11,16H,2-5,9-10,12-13H2,1H3,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide?
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide has a molecular weight of 363.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113141082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).