N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C23H19N3O3S2 — CID 87488273

IUPACN-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1cccc(-c2ccccc2)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H19N3O3S2/c27-22(25-16-17-5-4-8-20(15-17)18-6-2-1-3-7-18)19-9-11-21(12-10-19)31(28,29)26-23-24-13-14-30-23/h1-15H,16H2,(H,24,26)(H,25,27)
InChIKeyNHZHMQMOSJXONY-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.54
Rot. Bonds7

About N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87488273) has the molecular formula C23H19N3O3S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87488273
Molecular FormulaC23H19N3O3S2
Molecular Weight449.56 g/mol
Exact Mass449.09
IUPAC NameN-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1cccc(-c2ccccc2)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C23H19N3O3S2/c27-22(25-16-17-5-4-8-20(15-17)18-6-2-1-3-7-18)19-9-11-21(12-10-19)31(28,29)26-23-24-13-14-30-23/h1-15H,16H2,(H,24,26)(H,25,27)
InChIKeyNHZHMQMOSJXONY-UHFFFAOYSA-N
XLogP4.54
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-[[4-chloro-3-(2-cyanopropan-2-yl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 45137461
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
CID 46386301
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87487863
[3-[4-[2-cyano-4-(1,3-thiazol-2-ylsulfamoyl)phenoxy]-3-(2-methylpyrazol-3-yl)phenyl]phenyl]methylcarbamic acid
CID 87277522
N-[1-[(3-methoxyphenyl)methyl]cyclopropyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486974

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87488273) is N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(NCc1cccc(-c2ccccc2)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is NHZHMQMOSJXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S2/c27-22(25-16-17-5-4-8-20(15-17)18-6-2-1-3-7-18)19-9-11-21(12-10-19)31(28,29)26-23-24-13-14-30-23/h1-15H,16H2,(H,24,26)(H,25,27).
What are the key properties of N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 449.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87488273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).