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

C17H17N3O5S — CID 168521474

IUPAC2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)c(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-13-5-8-15(16(11-13)25-2)20-26(22,23)14-6-3-12(4-7-14)19-17(21)9-10-18/h3-8,11,20H,9H2,1-2H3,(H,19,21)
InChIKeyHAUFSLZGRVZUBJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.36
Rot. Bonds7

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

2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 168521474) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID168521474
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)c(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-13-5-8-15(16(11-13)25-2)20-26(22,23)14-6-3-12(4-7-14)19-17(21)9-10-18/h3-8,11,20H,9H2,1-2H3,(H,19,21)
InChIKeyHAUFSLZGRVZUBJ-UHFFFAOYSA-N
XLogP2.36
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,5-dimethylphenyl)acetamide
CID 92672071
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 21335908
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167861168
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179339
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide
CID 142489777
2-cyano-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 17069573
N-(2,4-dimethoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126390204
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3921023

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide (CID 168521474) is 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CC#N)cc2)c(OC)c1.
What is the InChIKey of 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is HAUFSLZGRVZUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-24-13-5-8-15(16(11-13)25-2)20-26(22,23)14-6-3-12(4-7-14)19-17(21)9-10-18/h3-8,11,20H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide?
2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 375.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 168521474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).