N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide

C20H30N2O2S — CID 55334635

IUPACN-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H30N2O2S/c1-4-15(2)21-20(24)17-12-8-9-13-18(17)25-14-19(23)22(3)16-10-6-5-7-11-16/h8-9,12-13,15-16H,4-7,10-11,14H2,1-3H3,(H,21,24)
InChIKeyFKWGXSSIOURMSN-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.10
Rot. Bonds7

About N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide

N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide (PubChem CID 55334635) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
PubChem CID55334635
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC NameN-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide
SMILESCCC(C)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C20H30N2O2S/c1-4-15(2)21-20(24)17-12-8-9-13-18(17)25-14-19(23)22(3)16-10-6-5-7-11-16/h8-9,12-13,15-16H,4-7,10-11,14H2,1-3H3,(H,21,24)
InChIKeyFKWGXSSIOURMSN-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887920
3-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]amino]propanoic acid
CID 119177043
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-piperidin-4-ylbenzamide
CID 119388889
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51237876
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112765032
ethyl 4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]amino]benzoate
CID 3253986
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(difluoromethoxy)phenyl]benzamide
CID 55332093
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55551435
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 31737743
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 55408612
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylbenzamide
CID 27648205
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 112763381

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide (CID 55334635) is N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide is CCC(C)NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide?
The InChIKey is FKWGXSSIOURMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-4-15(2)21-20(24)17-12-8-9-13-18(17)25-14-19(23)22(3)16-10-6-5-7-11-16/h8-9,12-13,15-16H,4-7,10-11,14H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide?
N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide has a molecular weight of 362.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 55334635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).