1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea

C15H21FN2O3S — CID 71990646

IUPAC1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(18-15(19)17-9-11-4-3-5-11)12-6-7-14(13(16)8-12)22(2,20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H2,17,18,19)
InChIKeySMXYTRFZPLRSJD-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.39
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea

1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea (PubChem CID 71990646) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea
PubChem CID71990646
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea
SMILESCC(NC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(18-15(19)17-9-11-4-3-5-11)12-6-7-14(13(16)8-12)22(2,20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H2,17,18,19)
InChIKeySMXYTRFZPLRSJD-UHFFFAOYSA-N
XLogP2.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991008
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide
CID 119333652
4-[1-(3-fluoro-4-methylsulfonylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673846
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrazolidine-3-carboxamide
CID 134068376
1-[1-(3-chloro-4-fluorophenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505263
3,3-diethoxy-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]propanamide
CID 102562820
2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
CID 119801243
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]butanamide;hydrochloride
CID 119801244
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
(2S)-2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylbutanamide
CID 119333678
2-(cyclohexen-1-yl)-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]acetamide
CID 71998989

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea (CID 71990646) is 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea is CC(NC(=O)NCC1CCC1)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is SMXYTRFZPLRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-10(18-15(19)17-9-11-4-3-5-11)12-6-7-14(13(16)8-12)22(2,20)21/h6-8,10-11H,3-5,9H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea?
1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 71990646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).