N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide

C22H19N3O4S — CID 3738165

IUPACN-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C22H19N3O4S/c1-15-11-20(25-30(27,28)18-10-6-7-16(12-18)14-23)21(29-2)13-19(15)24-22(26)17-8-4-3-5-9-17/h3-13,25H,1-2H3,(H,24,26)
InChIKeyNQUSIFUVJJEIGX-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.93
Rot. Bonds6

About N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide

N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide (PubChem CID 3738165) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
PubChem CID3738165
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C22H19N3O4S/c1-15-11-20(25-30(27,28)18-10-6-7-16(12-18)14-23)21(29-2)13-19(15)24-22(26)17-8-4-3-5-9-17/h3-13,25H,1-2H3,(H,24,26)
InChIKeyNQUSIFUVJJEIGX-UHFFFAOYSA-N
XLogP3.93
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164272
3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
CID 170407735
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 49182841
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide (CID 3738165) is N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(C)cc1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
The InChIKey is NQUSIFUVJJEIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-15-11-20(25-30(27,28)18-10-6-7-16(12-18)14-23)21(29-2)13-19(15)24-22(26)17-8-4-3-5-9-17/h3-13,25H,1-2H3,(H,24,26).
What are the key properties of N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide?
N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide has a molecular weight of 421.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide is sourced from PubChem (CID 3738165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).