N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

C23H21N3O4S — CID 26374632

IUPACN-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C23H21N3O4S/c1-26(21-5-3-4-6-22(21)30-2)31(28,29)20-13-9-18(10-14-20)23(27)25-19-11-7-17(8-12-19)15-16-24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyPIMLOUDKNZTQKS-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.84
Rot. Bonds7

About N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide

N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 26374632) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID26374632
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C23H21N3O4S/c1-26(21-5-3-4-6-22(21)30-2)31(28,29)20-13-9-18(10-14-20)23(27)25-19-11-7-17(8-12-19)15-16-24/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyPIMLOUDKNZTQKS-UHFFFAOYSA-N
XLogP3.84
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1278367
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 42963469
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 4787817
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-(4-cyanophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 46797420
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
[2-(4-methoxyanilino)-2-oxoethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 4854134
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119433863
N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 17200572
N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide (CID 26374632) is N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is PIMLOUDKNZTQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-26(21-5-3-4-6-22(21)30-2)31(28,29)20-13-9-18(10-14-20)23(27)25-19-11-7-17(8-12-19)15-16-24/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 26374632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).