2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide

C24H30N2O2S — CID 26915377

IUPAC2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1C
InChIInChI=1S/C24H30N2O2S/c1-17-12-13-20(14-18(17)2)26-24(28)21-10-6-7-11-22(21)29-16-23(27)25-15-19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFDMDZHPIIWLIIR-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.34
Rot. Bonds7

About 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide (PubChem CID 26915377) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide
PubChem CID26915377
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1C
InChIInChI=1S/C24H30N2O2S/c1-17-12-13-20(14-18(17)2)26-24(28)21-10-6-7-11-22(21)29-16-23(27)25-15-19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyFDMDZHPIIWLIIR-UHFFFAOYSA-N
XLogP5.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887919
methyl 2-[4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]phenoxy]acetate
CID 55725815
methyl 2-[[3-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoyl]amino]acetate
CID 55750553
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-pyridin-3-ylbenzamide
CID 51162122
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898139
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 119384780
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 26197547
2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
CID 55333923
4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]butanoic acid
CID 119170730
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
CID 112793176
N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18164498
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55581884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide (CID 26915377) is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1C.
What is the InChIKey of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is FDMDZHPIIWLIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-17-12-13-20(14-18(17)2)26-24(28)21-10-6-7-11-22(21)29-16-23(27)25-15-19-8-4-3-5-9-19/h6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide?
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 410.58 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 26915377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).