4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide

C20H23N3O3S — CID 39860972

IUPAC4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H23N3O3S/c1-20(2,3)22-27(25,26)18-11-9-17(10-12-18)19(24)23(4)14-16-7-5-15(13-21)6-8-16/h5-12,22H,14H2,1-4H3
InChIKeyIMDXVNSVUZIQMM-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.91
Rot. Bonds5

About 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide

4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide (PubChem CID 39860972) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
PubChem CID39860972
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H23N3O3S/c1-20(2,3)22-27(25,26)18-11-9-17(10-12-18)19(24)23(4)14-16-7-5-15(13-21)6-8-16/h5-12,22H,14H2,1-4H3
InChIKeyIMDXVNSVUZIQMM-UHFFFAOYSA-N
XLogP2.91
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
N-[(4-bromophenyl)methyl]-4-(2-cyanoethylsulfamoyl)-N-methylbenzamide
CID 32758145
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523
N-benzyl-2-[(4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760070
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
CID 109061458
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
4-(cyclopropylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 18195060

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide (CID 39860972) is 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
The InChIKey is IMDXVNSVUZIQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-20(2,3)22-27(25,26)18-11-9-17(10-12-18)19(24)23(4)14-16-7-5-15(13-21)6-8-16/h5-12,22H,14H2,1-4H3.
What are the key properties of 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide?
4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide has a molecular weight of 385.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-[(4-cyanophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 39860972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).