2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C22H19N3O5S — CID 167831780

IUPAC2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3C#N)ccc2OC)cc1
InChIInChI=1S/C22H19N3O5S/c1-29-18-10-7-16(8-11-18)25-31(27,28)21-13-17(9-12-20(21)30-2)24-22(26)19-6-4-3-5-15(19)14-23/h3-13,25H,1-2H3,(H,24,26)
InChIKeyKIBAQTMTLJQUTB-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.63
Rot. Bonds7

About 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 167831780) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID167831780
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3C#N)ccc2OC)cc1
InChIInChI=1S/C22H19N3O5S/c1-29-18-10-7-16(8-11-18)25-31(27,28)21-13-17(9-12-20(21)30-2)24-22(26)19-6-4-3-5-15(19)14-23/h3-13,25H,1-2H3,(H,24,26)
InChIKeyKIBAQTMTLJQUTB-UHFFFAOYSA-N
XLogP3.63
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55836989
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
2-(cyanomethylsulfanyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 36679992
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
2-ethoxy-N-[(2S)-1-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 98396274
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 18208108
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 167831780) is 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3C#N)ccc2OC)cc1.
What is the InChIKey of 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is KIBAQTMTLJQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-29-18-10-7-16(8-11-18)25-31(27,28)21-13-17(9-12-20(21)30-2)24-22(26)19-6-4-3-5-15(19)14-23/h3-13,25H,1-2H3,(H,24,26).
What are the key properties of 2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 437.48 g/mol, XLogP of 3.63, 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-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 167831780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).