2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

C19H28N2O4S — CID 9096715

IUPAC2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc(OC)c1
InChIInChI=1S/C19H28N2O4S/c1-21(15-7-5-4-6-8-15)19(23)13-26-12-18(22)20-14-9-16(24-2)11-17(10-14)25-3/h9-11,15H,4-8,12-13H2,1-3H3,(H,20,22)
InChIKeyNUHXMDKBNVGUIT-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.17
Rot. Bonds8

About 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 9096715) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID9096715
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc(OC)c1
InChIInChI=1S/C19H28N2O4S/c1-21(15-7-5-4-6-8-15)19(23)13-26-12-18(22)20-14-9-16(24-2)11-17(10-14)25-3/h9-11,15H,4-8,12-13H2,1-3H3,(H,20,22)
InChIKeyNUHXMDKBNVGUIT-UHFFFAOYSA-N
XLogP3.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide (CID 9096715) is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CSCC(=O)N(C)C2CCCCC2)cc(OC)c1.
What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is NUHXMDKBNVGUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-21(15-7-5-4-6-8-15)19(23)13-26-12-18(22)20-14-9-16(24-2)11-17(10-14)25-3/h9-11,15H,4-8,12-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide?
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 380.51 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9096715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).