N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide

C17H22N2OS — CID 26569678

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N(C)C2(C#N)CCCCC2)cc1
InChIInChI=1S/C17H22N2OS/c1-14-6-8-15(9-7-14)21-12-16(20)19(2)17(13-18)10-4-3-5-11-17/h6-9H,3-5,10-12H2,1-2H3
InChIKeyQTJNLFIDYYSTKK-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.77
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide

N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 26569678) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide
PubChem CID26569678
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)N(C)C2(C#N)CCCCC2)cc1
InChIInChI=1S/C17H22N2OS/c1-14-6-8-15(9-7-14)21-12-16(20)19(2)17(13-18)10-4-3-5-11-17/h6-9H,3-5,10-12H2,1-2H3
InChIKeyQTJNLFIDYYSTKK-UHFFFAOYSA-N
XLogP3.77
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide
CID 7458761
2-(3-aminophenyl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 79127617
N-(1-cyanocyclohexyl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 7870610
N-(1-cyanocyclohexyl)-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499946
2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 106678918
2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 43091446
N-(1-cyanocyclohexyl)-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43393702
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 31098743
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7459337
N-(1-cyanocyclohexyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 7538553
2-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 31100020
N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
CID 52689443

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide (CID 26569678) is N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)N(C)C2(C#N)CCCCC2)cc1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is QTJNLFIDYYSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-14-6-8-15(9-7-14)21-12-16(20)19(2)17(13-18)10-4-3-5-11-17/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 302.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 26569678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).