N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide

C14H18ClNO3S — CID 75373370

IUPACN-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)7-6-14(17)16-11-8-10(9-11)12-4-2-3-5-13(12)15/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyZULXAJYRBXOKGM-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.14
Rot. Bonds5

About N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide

N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide (PubChem CID 75373370) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide
PubChem CID75373370
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC NameN-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)7-6-14(17)16-11-8-10(9-11)12-4-2-3-5-13(12)15/h2-5,10-11H,6-9H2,1H3,(H,16,17)
InChIKeyZULXAJYRBXOKGM-UHFFFAOYSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorobenzyl)sulfanyl]-N-(propan-2-yl)acetamide
CID 875617
3-[(2-chlorobenzyl)thio]-N-cyclopentylpropanamide
CID 4615987
3-[(3-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 5068934
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethanesulfinyl]-N-isopropyl-acetamide
CID 44398410
3-[(2-chlorobenzyl)thio]-N-cyclohexylpropanamide
CID 3379555
(2E)-N-(1,1-dioxothiolan-3-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 5334713
3-[(4-chlorobenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 4613734
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 42961433
2-[(3-chlorophenyl)methylsulfinyl]-N-cyclopentylacetamide
CID 56811717
2-[(2-chloro-4-fluorophenyl)methylsulfinyl]-N-cyclopentylacetamide
CID 56811725
N-(1-cyclopropyl-2-phenylethyl)-3-methylsulfonylpropanamide
CID 72008582
3-[2-(2-Chlorophenyl)ethyl]-1-ethyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136359

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide?
The IUPAC name of N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide (CID 75373370) is N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide?
The canonical SMILES for N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NC1CC(c2ccccc2Cl)C1.
What is the InChIKey of N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide?
The InChIKey is ZULXAJYRBXOKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-20(18,19)7-6-14(17)16-11-8-10(9-11)12-4-2-3-5-13(12)15/h2-5,10-11H,6-9H2,1H3,(H,16,17).
What are the key properties of N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide?
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide has a molecular weight of 315.82 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide is sourced from PubChem (CID 75373370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).