2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide

C23H34N2O2S — CID 112793176

IUPAC2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C23H34N2O2S/c1-17-9-5-7-13-20(17)25-23(27)19-12-6-8-14-21(19)28-16-22(26)24-15-18-10-3-2-4-11-18/h6,8,12,14,17-18,20H,2-5,7,9-11,13,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeySHLDEAKGDJOMFA-UHFFFAOYSA-N
MW402.60 g/mol
LogP4.78
Rot. Bonds7

About 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide (PubChem CID 112793176) has the molecular formula C23H34N2O2S and a molecular weight of 402.60 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
PubChem CID112793176
Molecular FormulaC23H34N2O2S
Molecular Weight402.60 g/mol
Exact Mass402.23
IUPAC Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
SMILESCC1CCCCC1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C23H34N2O2S/c1-17-9-5-7-13-20(17)25-23(27)19-12-6-8-14-21(19)28-16-22(26)24-15-18-10-3-2-4-11-18/h6,8,12,14,17-18,20H,2-5,7,9-11,13,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeySHLDEAKGDJOMFA-UHFFFAOYSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
CID 55333923
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 119384780
N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18164498
4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]butanoic acid
CID 119170730
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide
CID 26915377
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887919
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7605607
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55576173
N-(cyclohexylmethyl)-2-[2-[(thiophene-2-carbonylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18160095
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(furan-3-ylmethyl)benzamide
CID 55838539
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
CID 78770136

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide?
The IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide (CID 112793176) is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide?
The canonical SMILES for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide is CC1CCCCC1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide?
The InChIKey is SHLDEAKGDJOMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2S/c1-17-9-5-7-13-20(17)25-23(27)19-12-6-8-14-21(19)28-16-22(26)24-15-18-10-3-2-4-11-18/h6,8,12,14,17-18,20H,2-5,7,9-11,13,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide?
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide has a molecular weight of 402.60 g/mol, XLogP of 4.78, 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-(2-methylcyclohexyl)benzamide is sourced from PubChem (CID 112793176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).