N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide

C18H19N3O3S — CID 17200572

IUPACN-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-3-25(23,24)21(2)17-10-6-15(7-11-17)18(22)20-16-8-4-14(5-9-16)12-13-19/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyHQKULEKIQSQWFI-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.79
Rot. Bonds6

About N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide

N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide (PubChem CID 17200572) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
PubChem CID17200572
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1
InChIInChI=1S/C18H19N3O3S/c1-3-25(23,24)21(2)17-10-6-15(7-11-17)18(22)20-16-8-4-14(5-9-16)12-13-19/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyHQKULEKIQSQWFI-UHFFFAOYSA-N
XLogP2.79
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
CID 9260879
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
N-[4-(cyanomethyl)phenyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26374632
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
4-[ethylsulfonyl(methyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 21368424
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21367810
N-[4-(cyanomethyl)phenyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 19062669
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
N-[(4-chlorophenyl)methyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 53280666

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide (CID 17200572) is N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The InChIKey is HQKULEKIQSQWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-25(23,24)21(2)17-10-6-15(7-11-17)18(22)20-16-8-4-14(5-9-16)12-13-19/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 17200572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).