1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea

C16H24N2OS — CID 110775362

IUPAC1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
SMILESCC(C)Sc1ccc(CNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-12(2)20-15-9-7-13(8-10-15)11-17-16(19)18-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H2,17,18,19)
InChIKeyWQWLYBJZYQBKIK-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.93
Rot. Bonds5

About 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea

1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea (PubChem CID 110775362) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
PubChem CID110775362
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea
SMILESCC(C)Sc1ccc(CNC(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H24N2OS/c1-12(2)20-15-9-7-13(8-10-15)11-17-16(19)18-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H2,17,18,19)
InChIKeyWQWLYBJZYQBKIK-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60573206
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
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1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
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1-cyclohexyl-3-(furan-3-ylmethyl)urea
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1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea (CID 110775362) is 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea is CC(C)Sc1ccc(CNC(=O)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea?
The InChIKey is WQWLYBJZYQBKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)20-15-9-7-13(8-10-15)11-17-16(19)18-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea?
1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea has a molecular weight of 292.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4-propan-2-ylsulfanylphenyl)methyl]urea is sourced from PubChem (CID 110775362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).