N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C34H26F3N3O4S — CID 70144706

IUPACN-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C34H26F3N3O4S/c35-34(36,37)26-17-15-24(16-18-26)30-11-4-5-12-31(30)33(42)39-28-10-6-7-25(21-28)32(41)38-22-23-13-19-29(20-14-23)45(43,44)40-27-8-2-1-3-9-27/h1-21,40H,22H2,(H,38,41)(H,39,42)
InChIKeyQTUWWZRTQIFHOL-UHFFFAOYSA-N
MW629.66 g/mol
LogP7.36
Rot. Bonds9

About N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 70144706) has the molecular formula C34H26F3N3O4S and a molecular weight of 629.66 g/mol. Its IUPAC name is N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID70144706
Molecular FormulaC34H26F3N3O4S
Molecular Weight629.66 g/mol
Exact Mass629.16
IUPAC NameN-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C34H26F3N3O4S/c35-34(36,37)26-17-15-24(16-18-26)30-11-4-5-12-31(30)33(42)39-28-10-6-7-25(21-28)32(41)38-22-23-13-19-29(20-14-23)45(43,44)40-27-8-2-1-3-9-27/h1-21,40H,22H2,(H,38,41)(H,39,42)
InChIKeyQTUWWZRTQIFHOL-UHFFFAOYSA-N
XLogP7.36
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.66
LogP ≤ 57.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[[[3-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]methyl]phenyl]benzamide
CID 70144080
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70144762
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
N-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70142839
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
N-[[4-(4-methylphenyl)phenyl]methyl]-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 12051304
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
3-[[2-[3-(trifluoromethyl)phenyl]benzoyl]amino]benzoic acid
CID 151250225

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 70144706) is N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(NCc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QTUWWZRTQIFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F3N3O4S/c35-34(36,37)26-17-15-24(16-18-26)30-11-4-5-12-31(30)33(42)39-28-10-6-7-25(21-28)32(41)38-22-23-13-19-29(20-14-23)45(43,44)40-27-8-2-1-3-9-27/h1-21,40H,22H2,(H,38,41)(H,39,42).
What are the key properties of N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 629.66 g/mol, XLogP of 7.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(phenylsulfamoyl)phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 70144706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).