1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea

C15H22N2O3S — CID 95573065

IUPAC1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCC1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)11-10-16-15(18)17-14(13-8-5-9-13)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyKGHPYCJIMPDBQS-AWEZNQCLSA-N
MW310.42 g/mol
LogP1.87
Rot. Bonds6

About 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea

1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea (PubChem CID 95573065) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
PubChem CID95573065
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea
SMILESCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCC1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)11-10-16-15(18)17-14(13-8-5-9-13)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H2,16,17,18)/t14-/m0/s1
InChIKeyKGHPYCJIMPDBQS-AWEZNQCLSA-N
XLogP1.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
N-[cyclohexyl(phenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020638
1-[(R)-cyclobutyl(phenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95318618
1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111104225
2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 95312553
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
1-[(S)-cyclobutyl(phenyl)methyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 95310450
1-[(R)-cyclopropyl(phenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 51469803
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 17460566
1-cyclobutyl-3-(2-methylsulfonylethyl)urea
CID 84522289

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea?
The IUPAC name of 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea (CID 95573065) is 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea.
What is the SMILES notation for 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea?
The canonical SMILES for 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea is CS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCC1.
What is the InChIKey of 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea?
The InChIKey is KGHPYCJIMPDBQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)11-10-16-15(18)17-14(13-8-5-9-13)12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3,(H2,16,17,18)/t14-/m0/s1.
What are the key properties of 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea?
1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea has a molecular weight of 310.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclobutyl(phenyl)methyl]-3-(2-methylsulfonylethyl)urea is sourced from PubChem (CID 95573065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).