2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide

C24H20ClN3O3S2 — CID 38766050

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H20ClN3O3S2/c25-21-11-4-5-12-22(21)28-33(30,31)20-10-6-9-18(14-20)26-23(29)15-19-16-32-24(27-19)13-17-7-2-1-3-8-17/h1-12,14,16,28H,13,15H2,(H,26,29)
InChIKeyPSQMICMOHOJZTH-UHFFFAOYSA-N
MW498.03 g/mol
LogP5.37
Rot. Bonds8

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 38766050) has the molecular formula C24H20ClN3O3S2 and a molecular weight of 498.03 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID38766050
Molecular FormulaC24H20ClN3O3S2
Molecular Weight498.03 g/mol
Exact Mass497.06
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H20ClN3O3S2/c25-21-11-4-5-12-22(21)28-33(30,31)20-10-6-9-18(14-20)26-23(29)15-19-16-32-24(27-19)13-17-7-2-1-3-8-17/h1-12,14,16,28H,13,15H2,(H,26,29)
InChIKeyPSQMICMOHOJZTH-UHFFFAOYSA-N
XLogP5.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 36678786
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 29282406
2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 47029385
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26593129
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3-bromophenyl)acetamide
CID 41231504
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 9415219
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55617002
3-(1,3-benzothiazol-2-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 26593218
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 39896236
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide (CID 38766050) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide is O=C(Cc1csc(Cc2ccccc2)n1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PSQMICMOHOJZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3S2/c25-21-11-4-5-12-22(21)28-33(30,31)20-10-6-9-18(14-20)26-23(29)15-19-16-32-24(27-19)13-17-7-2-1-3-8-17/h1-12,14,16,28H,13,15H2,(H,26,29).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 498.03 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 38766050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).