N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

C18H20ClNO4S — CID 9183059

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H20ClNO4S/c1-20(11-15-10-16(19)8-9-17(15)24-2)18(21)14-6-4-13(5-7-14)12-25(3,22)23/h4-10H,11-12H2,1-3H3
InChIKeyCNLTUORCMVTBJC-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.17
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (PubChem CID 9183059) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
PubChem CID9183059
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C18H20ClNO4S/c1-20(11-15-10-16(19)8-9-17(15)24-2)18(21)14-6-4-13(5-7-14)12-25(3,22)23/h4-10H,11-12H2,1-3H3
InChIKeyCNLTUORCMVTBJC-UHFFFAOYSA-N
XLogP3.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 55330028
4-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9182996
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
4-amino-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-nitrobenzamide
CID 41283301
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075020
N-[(5-chloro-2-methoxyphenyl)methyl]-3-cyano-N-methylbenzamide
CID 30857850
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
CID 112798057

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (CID 9183059) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The InChIKey is CNLTUORCMVTBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-20(11-15-10-16(19)8-9-17(15)24-2)18(21)14-6-4-13(5-7-14)12-25(3,22)23/h4-10H,11-12H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide has a molecular weight of 381.88 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 9183059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).