1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea

C16H24N2OS — CID 110776107

IUPAC1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
SMILESCCSc1ccc(CCNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-2-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeyWUVOLLUXHMKUOA-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.58
Rot. Bonds6

About 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea

1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea (PubChem CID 110776107) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
PubChem CID110776107
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
SMILESCCSc1ccc(CCNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-2-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeyWUVOLLUXHMKUOA-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenyl)ethyl]-3-cyclopentylurea
CID 110775638
1-cyclopentyl-3-[2-(4-ethylsulfonylphenyl)ethyl]urea
CID 110776114
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
CID 110790666
1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
CID 110775362
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
1-cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 6489572
1-cyclopentyl-3-propylurea
CID 14343339
1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379388
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
1-cyclohexyl-3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]urea
CID 110775706

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea (CID 110776107) is 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea is CCSc1ccc(CCNC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea?
The InChIKey is WUVOLLUXHMKUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea?
1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea has a molecular weight of 292.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea is sourced from PubChem (CID 110776107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).