2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide

C29H26Cl2N2O5S — CID 138559668

IUPAC2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccc2-c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C29H26Cl2N2O5S/c1-37-24-12-10-21(27(17-24)38-2)18-32-39(35,36)28-16-23(11-13-25(28)19-7-5-8-22(30)14-19)33-29(34)15-20-6-3-4-9-26(20)31/h3-14,16-17,32H,15,18H2,1-2H3,(H,33,34)
InChIKeyKGSGSYQKUCEQRG-UHFFFAOYSA-N
MW585.51 g/mol
LogP6.34
Rot. Bonds10

About 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide

2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide (PubChem CID 138559668) has the molecular formula C29H26Cl2N2O5S and a molecular weight of 585.51 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
PubChem CID138559668
Molecular FormulaC29H26Cl2N2O5S
Molecular Weight585.51 g/mol
Exact Mass584.09
IUPAC Name2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccc2-c2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C29H26Cl2N2O5S/c1-37-24-12-10-21(27(17-24)38-2)18-32-39(35,36)28-16-23(11-13-25(28)19-7-5-8-22(30)14-19)33-29(34)15-20-6-3-4-9-26(20)31/h3-14,16-17,32H,15,18H2,1-2H3,(H,33,34)
InChIKeyKGSGSYQKUCEQRG-UHFFFAOYSA-N
XLogP6.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.51
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[[2-(2-chlorophenyl)acetyl]amino]-2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-1,3-dihydropyrazol-4-yl] carbamate
CID 175823644
2-(2-chlorophenyl)-N-[4-[4-(difluoromethyl)triazol-2-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 165379987
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55364569
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
2-[3-[2-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-fluorophenyl]acetamide
CID 175751838
N-[4-(5-cyclopropyl-3-methyl-3,4-dihydropyrazol-2-yl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 142500041
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
N-[4-[4-(3,3-difluoropropyl)pyrazol-1-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 158743261

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide (CID 138559668) is 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide is COc1ccc(CNS(=O)(=O)c2cc(NC(=O)Cc3ccccc3Cl)ccc2-c2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is KGSGSYQKUCEQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N2O5S/c1-37-24-12-10-21(27(17-24)38-2)18-32-39(35,36)28-16-23(11-13-25(28)19-7-5-8-22(30)14-19)33-29(34)15-20-6-3-4-9-26(20)31/h3-14,16-17,32H,15,18H2,1-2H3,(H,33,34).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 585.51 g/mol, XLogP of 6.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(3-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 138559668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).