N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide

C30H31N3O9S2 — CID 126179339

IUPACN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1
InChIInChI=1S/C30H31N3O9S2/c1-39-23-12-16-26(28(18-23)41-3)32-43(35,36)24-13-10-21(11-14-24)31-30(34)20-33(22-8-6-5-7-9-22)44(37,38)25-15-17-27(40-2)29(19-25)42-4/h5-19,32H,20H2,1-4H3,(H,31,34)
InChIKeyLGWPNBCHACOHBT-UHFFFAOYSA-N
MW641.72 g/mol
LogP4.36
Rot. Bonds13

About N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide

N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide (PubChem CID 126179339) has the molecular formula C30H31N3O9S2 and a molecular weight of 641.72 g/mol. Its IUPAC name is N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
PubChem CID126179339
Molecular FormulaC30H31N3O9S2
Molecular Weight641.72 g/mol
Exact Mass641.15
IUPAC NameN-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1
InChIInChI=1S/C30H31N3O9S2/c1-39-23-12-16-26(28(18-23)41-3)32-43(35,36)24-13-10-21(11-14-24)31-30(34)20-33(22-8-6-5-7-9-22)44(37,38)25-15-17-27(40-2)29(19-25)42-4/h5-19,32H,20H2,1-4H3,(H,31,34)
InChIKeyLGWPNBCHACOHBT-UHFFFAOYSA-N
XLogP4.36
TPSA149.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.72
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880649
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126173122
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880378
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126413803
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3655318
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880310
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126186135

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide (CID 126179339) is N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1.
What is the InChIKey of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is LGWPNBCHACOHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O9S2/c1-39-23-12-16-26(28(18-23)41-3)32-43(35,36)24-13-10-21(11-14-24)31-30(34)20-33(22-8-6-5-7-9-22)44(37,38)25-15-17-27(40-2)29(19-25)42-4/h5-19,32H,20H2,1-4H3,(H,31,34).
What are the key properties of N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide?
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 641.72 g/mol, XLogP of 4.36, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126179339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).