4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide

C18H20ClNO4S — CID 26458889

IUPAC4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C18H20ClNO4S/c1-12-4-7-16(24-2)13(10-12)8-9-20-18(21)14-5-6-15(19)17(11-14)25(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyQIPBLIDCFVFMRA-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.03
Rot. Bonds6

About 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide

4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide (PubChem CID 26458889) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
PubChem CID26458889
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Name4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C18H20ClNO4S/c1-12-4-7-16(24-2)13(10-12)8-9-20-18(21)14-5-6-15(19)17(11-14)25(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)
InChIKeyQIPBLIDCFVFMRA-UHFFFAOYSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
CID 26457205
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
CID 18082399
4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9050026
4-chloro-N-[2-(2-methylpropanoylamino)ethyl]-3-methylsulfonylbenzamide
CID 32969715
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
3-bromo-4-hydroxy-5-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 24550494
3-fluoro-N-[2-[[N-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111389665
N-[2-(2,4-dichlorophenyl)ethyl]-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 2110113
4-bromo-N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 40659095
4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
CID 110632422

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide (CID 26458889) is 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide is COc1ccc(C)cc1CCNC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
The InChIKey is QIPBLIDCFVFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-12-4-7-16(24-2)13(10-12)8-9-20-18(21)14-5-6-15(19)17(11-14)25(3,22)23/h4-7,10-11H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide?
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide has a molecular weight of 381.88 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 26458889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).