N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide

C22H20ClNO6S — CID 19220173

IUPACN-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H20ClNO6S/c1-28-17-7-6-8-18(14-17)30-15-22(25)24(16-11-12-21(29-2)20(23)13-16)31(26,27)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3
InChIKeyJIGPDCRWWJRMMW-UHFFFAOYSA-N
MW461.92 g/mol
LogP4.16
Rot. Bonds8

About N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide

N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 19220173) has the molecular formula C22H20ClNO6S and a molecular weight of 461.92 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide
PubChem CID19220173
Molecular FormulaC22H20ClNO6S
Molecular Weight461.92 g/mol
Exact Mass461.07
IUPAC NameN-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H20ClNO6S/c1-28-17-7-6-8-18(14-17)30-15-22(25)24(16-11-12-21(29-2)20(23)13-16)31(26,27)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3
InChIKeyJIGPDCRWWJRMMW-UHFFFAOYSA-N
XLogP4.16
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.92
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 19210283
2-(4-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 19217802
N-(benzenesulfonyl)-2-(2,5-dichlorophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217653
N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)-N-(4-methylphenyl)sulfonylacetamide
CID 19220163
N-(benzenesulfonyl)-2-(2-bromo-4-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219983
N-(benzenesulfonyl)-2-(2,3-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19218157
N-(benzenesulfonyl)-2-(4-bromo-2-ethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219764
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]acetamide
CID 1372382
N-(benzenesulfonyl)-2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 19212675
2-(2-bromo-4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 19220025

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide (CID 19220173) is N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)N(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is JIGPDCRWWJRMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO6S/c1-28-17-7-6-8-18(14-17)30-15-22(25)24(16-11-12-21(29-2)20(23)13-16)31(26,27)19-9-4-3-5-10-19/h3-14H,15H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide?
N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 461.92 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 19220173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).