2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide

C25H27ClN2O5S — CID 100797108

IUPAC2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C25H27ClN2O5S/c1-17-6-13-23(33-5)24(14-17)34(30,31)28(20-8-7-18(2)22(26)15-20)16-25(29)27(3)19-9-11-21(32-4)12-10-19/h6-15H,16H2,1-5H3
InChIKeyNBAVTKXEZDECJZ-UHFFFAOYSA-N
MW503.02 g/mol
LogP4.83
Rot. Bonds8

About 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide

2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 100797108) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID100797108
Molecular FormulaC25H27ClN2O5S
Molecular Weight503.02 g/mol
Exact Mass502.13
IUPAC Name2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C25H27ClN2O5S/c1-17-6-13-23(33-5)24(14-17)34(30,31)28(20-8-7-18(2)22(26)15-20)16-25(29)27(3)19-9-11-21(32-4)12-10-19/h6-15H,16H2,1-5H3
InChIKeyNBAVTKXEZDECJZ-UHFFFAOYSA-N
XLogP4.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797112
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100797053
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100796116
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94861508
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401524
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874664
N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100797059
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 100797080

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide (CID 100797108) is 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is NBAVTKXEZDECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-17-6-13-23(33-5)24(14-17)34(30,31)28(20-8-7-18(2)22(26)15-20)16-25(29)27(3)19-9-11-21(32-4)12-10-19/h6-15H,16H2,1-5H3.
What are the key properties of 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide?
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 503.02 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 100797108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).