N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide

C23H18ClN3O4S2 — CID 156859744

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O4S2/c1-31-20-12-11-18(13-21(20)33(29,30)27-17-9-7-16(24)8-10-17)25-22(28)19-14-32-23(26-19)15-5-3-2-4-6-15/h2-14,27H,1H3,(H,25,28)
InChIKeyRHTARYDJIQCXES-UHFFFAOYSA-N
MW500.00 g/mol
LogP5.53
Rot. Bonds7

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 156859744) has the molecular formula C23H18ClN3O4S2 and a molecular weight of 500.00 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID156859744
Molecular FormulaC23H18ClN3O4S2
Molecular Weight500.00 g/mol
Exact Mass499.04
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O4S2/c1-31-20-12-11-18(13-21(20)33(29,30)27-17-9-7-16(24)8-10-17)25-22(28)19-14-32-23(26-19)15-5-3-2-4-6-15/h2-14,27H,1H3,(H,25,28)
InChIKeyRHTARYDJIQCXES-UHFFFAOYSA-N
XLogP5.53
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.00
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 34081958
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 17478688
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048
N-(4-methoxy-3-sulfamoylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24514747
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
N-[5-[(4-fluoro-2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 166748230
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
2-(4-chlorophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 46678053

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 156859744) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is RHTARYDJIQCXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S2/c1-31-20-12-11-18(13-21(20)33(29,30)27-17-9-7-16(24)8-10-17)25-22(28)19-14-32-23(26-19)15-5-3-2-4-6-15/h2-14,27H,1H3,(H,25,28).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 156859744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).