N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide

C15H21ClN2O3S — CID 73168158

IUPACN-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-11(2)10-22(20,21)14-8-18(9-14)15(19)17-7-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyIIXHGJAOLIQQHF-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.30
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide

N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide (PubChem CID 73168158) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide
PubChem CID73168158
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O3S/c1-11(2)10-22(20,21)14-8-18(9-14)15(19)17-7-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyIIXHGJAOLIQQHF-UHFFFAOYSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-methyl-1,3-thiazolidine-3-carboxamide
CID 44360363
1-[1-(4-Chlorophenyl)ethyl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51081800
N-[1-(2-chlorophenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72012390
1-[1-(4-Chlorophenyl)propan-2-yl]-1-methyl-3-(2-methylsulfonylethyl)urea
CID 72130556
3-[2-(2-Chlorophenyl)ethyl]-1-ethyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136359
3-[3-(4-Chlorophenyl)propyl]-1-methyl-1-(1-methylsulfonylpropan-2-yl)urea
CID 72136905
N-(4-chlorobenzyl)-4-(methylsulfonyl)piperidine-1-carboxamide
CID 71805739
N-(4-chlorobenzyl)-2-((phenylsulfonyl)methyl)pyrrolidine-1-carboxamide
CID 71805910
N-(4-chlorobenzyl)-4-(phenylsulfonyl)piperidine-1-carboxamide
CID 71808770
N-(4-chlorobenzyl)-3-(methylthio)pyrrolidine-1-carboxamide
CID 76147528
1-[3-(4-Chlorophenyl)butan-2-yl]-1-methyl-3-(2-methylsulfonylethyl)urea
CID 71865030
1-[1-(2-Chloro-4-fluorophenyl)ethyl]-3-[(1,1-dioxothiolan-2-yl)methyl]urea
CID 71915987

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide (CID 73168158) is N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide is CC(C)CS(=O)(=O)C1CN(C(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
The InChIKey is IIXHGJAOLIQQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11(2)10-22(20,21)14-8-18(9-14)15(19)17-7-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide is sourced from PubChem (CID 73168158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).