1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea

C14H20N2O3S — CID 67490157

IUPAC1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(N(CC2CCCC2)C(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-8-6-12(7-9-13)16(14(15)17)10-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H2,15,17)
InChIKeyCELWGWFWIDGRQB-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.17
Rot. Bonds4

About 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea

1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea (PubChem CID 67490157) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea
PubChem CID67490157
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(N(CC2CCCC2)C(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)13-8-6-12(7-9-13)16(14(15)17)10-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H2,15,17)
InChIKeyCELWGWFWIDGRQB-UHFFFAOYSA-N
XLogP2.17
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea (CID 67490157) is 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea is CS(=O)(=O)c1ccc(N(CC2CCCC2)C(N)=O)cc1.
What is the InChIKey of 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea?
The InChIKey is CELWGWFWIDGRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)13-8-6-12(7-9-13)16(14(15)17)10-11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H2,15,17).
What are the key properties of 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea?
1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea has a molecular weight of 296.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-1-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 67490157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).