1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea

C19H27N3O2S — CID 47033900

IUPAC1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESO=C(NCCSC1CCCC1)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C19H27N3O2S/c23-18-10-3-4-12-22(18)16-7-5-6-15(14-16)21-19(24)20-11-13-25-17-8-1-2-9-17/h5-7,14,17H,1-4,8-13H2,(H2,20,21,24)
InChIKeyUVEJGZYARDLVBH-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.00
Rot. Bonds6

About 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea

1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea (PubChem CID 47033900) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
PubChem CID47033900
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
SMILESO=C(NCCSC1CCCC1)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C19H27N3O2S/c23-18-10-3-4-12-22(18)16-7-5-6-15(14-16)21-19(24)20-11-13-25-17-8-1-2-9-17/h5-7,14,17H,1-4,8-13H2,(H2,20,21,24)
InChIKeyUVEJGZYARDLVBH-UHFFFAOYSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
1-(2-benzylsulfanylethyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 72845040
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(1,2,4-triazol-4-yl)propyl]urea
CID 118782997
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-pyridin-3-ylethyl)urea
CID 86988033
1-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 34700461
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 7686904
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(2-phenylsulfanylethyl)thiourea
CID 92541830
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea (CID 47033900) is 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea is O=C(NCCSC1CCCC1)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
The InChIKey is UVEJGZYARDLVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-18-10-3-4-12-22(18)16-7-5-6-15(14-16)21-19(24)20-11-13-25-17-8-1-2-9-17/h5-7,14,17H,1-4,8-13H2,(H2,20,21,24).
What are the key properties of 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea?
1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea has a molecular weight of 361.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylsulfanylethyl)-3-[3-(2-oxopiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 47033900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).