N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide

C23H21N3O3S — CID 78852030

IUPACN-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1)c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-17(20-6-3-2-4-7-20)26-30(28,29)22-9-5-8-21(14-22)23(27)25-16-19-12-10-18(15-24)11-13-19/h2-14,17,26H,16H2,1H3,(H,25,27)
InChIKeyRHGKTRWWYNMNLP-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.53
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide

N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide (PubChem CID 78852030) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
PubChem CID78852030
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1)c1ccccc1
InChIInChI=1S/C23H21N3O3S/c1-17(20-6-3-2-4-7-20)26-30(28,29)22-9-5-8-21(14-22)23(27)25-16-19-12-10-18(15-24)11-13-19/h2-14,17,26H,16H2,1H3,(H,25,27)
InChIKeyRHGKTRWWYNMNLP-UHFFFAOYSA-N
XLogP3.53
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-benzyl-4-(1-phenylethylsulfamoyl)benzamide
CID 109060541
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 120655257
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
N-(3-ethynylphenyl)-3-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 26010937
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
3-bromo-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 55681636

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide (CID 78852030) is N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide is CC(NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C#N)cc2)c1)c1ccccc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide?
The InChIKey is RHGKTRWWYNMNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-17(20-6-3-2-4-7-20)26-30(28,29)22-9-5-8-21(14-22)23(27)25-16-19-12-10-18(15-24)11-13-19/h2-14,17,26H,16H2,1H3,(H,25,27).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide?
N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide has a molecular weight of 419.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 78852030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).