N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide

C21H25N3O3S — CID 55593563

IUPACN-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)NCC)ccc1C
InChIInChI=1S/C21H25N3O3S/c1-4-12-24(15-18-9-7-17(14-22)8-10-18)21(25)20-13-19(11-6-16(20)3)28(26,27)23-5-2/h6-11,13,23H,4-5,12,15H2,1-3H3
InChIKeyRPSGMYVYLXYCAM-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.22
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide

N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide (PubChem CID 55593563) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide
PubChem CID55593563
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)NCC)ccc1C
InChIInChI=1S/C21H25N3O3S/c1-4-12-24(15-18-9-7-17(14-22)8-10-18)21(25)20-13-19(11-6-16(20)3)28(26,27)23-5-2/h6-11,13,23H,4-5,12,15H2,1-3H3
InChIKeyRPSGMYVYLXYCAM-UHFFFAOYSA-N
XLogP3.22
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 56534399
N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
5-(ethylsulfamoyl)-N,2-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 32916846
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide
CID 119441544
5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide (CID 55593563) is N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide is CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)NCC)ccc1C.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide?
The InChIKey is RPSGMYVYLXYCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-4-12-24(15-18-9-7-17(14-22)8-10-18)21(25)20-13-19(11-6-16(20)3)28(26,27)23-5-2/h6-11,13,23H,4-5,12,15H2,1-3H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide?
N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide has a molecular weight of 399.52 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide is sourced from PubChem (CID 55593563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).