2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

C19H28N2O2S — CID 32916537

IUPAC2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-14-4-8-16(9-5-14)20-18(22)12-24-13-19(23)21(3)17-10-6-15(2)7-11-17/h4-5,8-9,15,17H,6-7,10-13H2,1-3H3,(H,20,22)
InChIKeyBKILRPIHIZNLPU-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.70
Rot. Bonds6

About 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 32916537) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID32916537
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)N(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C19H28N2O2S/c1-14-4-8-16(9-5-14)20-18(22)12-24-13-19(23)21(3)17-10-6-15(2)7-11-17/h4-5,8-9,15,17H,6-7,10-13H2,1-3H3,(H,20,22)
InChIKeyBKILRPIHIZNLPU-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 134060817
4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 8503773
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
CID 8762225
2-[(4-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 28579743
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 47074506
2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]-propan-2-ylamino]acetic acid
CID 119198184
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 119603715
(2-anilino-2-oxoethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739318
2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (CID 32916537) is 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(=O)N(C)C2CCC(C)CC2)cc1.
What is the InChIKey of 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is BKILRPIHIZNLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-4-8-16(9-5-14)20-18(22)12-24-13-19(23)21(3)17-10-6-15(2)7-11-17/h4-5,8-9,15,17H,6-7,10-13H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 348.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 32916537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).