2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

C18H26N2O2S — CID 134060817

IUPAC2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C18H26N2O2S/c1-3-20(16-6-4-5-7-16)18(22)13-23-12-17(21)19-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyKGSCWIVXYJOZFA-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.46
Rot. Bonds7

About 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 134060817) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID134060817
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C18H26N2O2S/c1-3-20(16-6-4-5-7-16)18(22)13-23-12-17(21)19-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3,(H,19,21)
InChIKeyKGSCWIVXYJOZFA-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8755007
2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 32916537
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 47074506
4-[[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetyl]amino]-N,N-diethylbenzamide
CID 8503773
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 51151586
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 119603715
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[cycloheptyl(methylsulfonyl)amino]-N-(4-methylphenyl)acetamide
CID 113153101
2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]-propan-2-ylamino]acetic acid
CID 119198184
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
CID 8762225

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (CID 134060817) is 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is CCN(C(=O)CSCC(=O)Nc1ccc(C)cc1)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is KGSCWIVXYJOZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-3-20(16-6-4-5-7-16)18(22)13-23-12-17(21)19-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 334.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 134060817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).