N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

C25H27ClN2O7S — CID 126188033

IUPACN-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H27ClN2O7S/c1-16-6-7-17(12-20(16)26)27-25(29)15-28(21-13-18(32-2)8-10-22(21)33-3)36(30,31)19-9-11-23(34-4)24(14-19)35-5/h6-14H,15H2,1-5H3,(H,27,29)
InChIKeyDMHCIHDAUUMIHH-UHFFFAOYSA-N
MW535.02 g/mol
LogP4.52
Rot. Bonds10

About N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (PubChem CID 126188033) has the molecular formula C25H27ClN2O7S and a molecular weight of 535.02 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
PubChem CID126188033
Molecular FormulaC25H27ClN2O7S
Molecular Weight535.02 g/mol
Exact Mass534.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C25H27ClN2O7S/c1-16-6-7-17(12-20(16)26)27-25(29)15-28(21-13-18(32-2)8-10-22(21)33-3)36(30,31)19-9-11-23(34-4)24(14-19)35-5/h6-14H,15H2,1-5H3,(H,27,29)
InChIKeyDMHCIHDAUUMIHH-UHFFFAOYSA-N
XLogP4.52
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21371919
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 43891741
2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
CID 90051595
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 43891744
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126152599
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 99644439
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43881187
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 53280565
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 53279863

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide (CID 126188033) is N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is COc1ccc(OC)c(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
The InChIKey is DMHCIHDAUUMIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O7S/c1-16-6-7-17(12-20(16)26)27-25(29)15-28(21-13-18(32-2)8-10-22(21)33-3)36(30,31)19-9-11-23(34-4)24(14-19)35-5/h6-14H,15H2,1-5H3,(H,27,29).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide has a molecular weight of 535.02 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 126188033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).