N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide

C18H27N3O2S — CID 119384780

IUPACN-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESNCCNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C18H27N3O2S/c19-10-11-20-18(23)15-8-4-5-9-16(15)24-13-17(22)21-12-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13,19H2,(H,20,23)(H,21,22)
InChIKeyYBUCDFBWGQWRMZ-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.16
Rot. Bonds8

About N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide

N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide (PubChem CID 119384780) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
PubChem CID119384780
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
SMILESNCCNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C18H27N3O2S/c19-10-11-20-18(23)15-8-4-5-9-16(15)24-13-17(22)21-12-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13,19H2,(H,20,23)(H,21,22)
InChIKeyYBUCDFBWGQWRMZ-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]butanoic acid
CID 119170730
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 26796067
2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
CID 55333923
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(furan-3-ylmethyl)benzamide
CID 55838539
N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18164498
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
CID 112793176
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-(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-[(4-nitrophenyl)methyl]benzamide
CID 52702217
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887919

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide (CID 119384780) is N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide is NCCNC(=O)c1ccccc1SCC(=O)NCC1CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide?
The InChIKey is YBUCDFBWGQWRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c19-10-11-20-18(23)15-8-4-5-9-16(15)24-13-17(22)21-12-14-6-2-1-3-7-14/h4-5,8-9,14H,1-3,6-7,10-13,19H2,(H,20,23)(H,21,22).
What are the key properties of N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide?
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide has a molecular weight of 349.50 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide is sourced from PubChem (CID 119384780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).