N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide

C19H20N4O4S — CID 9261099

IUPACN-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C19H20N4O4S/c1-23(2)28(26,27)17-5-3-4-15(12-17)19(25)21-13-18(24)22-16-8-6-14(7-9-16)10-11-20/h3-9,12H,10,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyYJZIIQMHNXTCJK-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.37
Rot. Bonds7

About N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide

N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 9261099) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID9261099
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(CC#N)cc2)c1
InChIInChI=1S/C19H20N4O4S/c1-23(2)28(26,27)17-5-3-4-15(12-17)19(25)21-13-18(24)22-16-8-6-14(7-9-16)10-11-20/h3-9,12H,10,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyYJZIIQMHNXTCJK-UHFFFAOYSA-N
XLogP1.37
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
N-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 4788124
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]benzamide
CID 35508229
4-tert-butyl-N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]benzamide
CID 26374575
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
methyl 3-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]amino]benzoate
CID 36587066

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide (CID 9261099) is N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(CC#N)cc2)c1.
What is the InChIKey of N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is YJZIIQMHNXTCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-23(2)28(26,27)17-5-3-4-15(12-17)19(25)21-13-18(24)22-16-8-6-14(7-9-16)10-11-20/h3-9,12H,10,13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 400.46 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 9261099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).