N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C20H18ClN3O5S2 — CID 55435213

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(C(C)=O)cs3)c2)cc1
InChIInChI=1S/C20H18ClN3O5S2/c1-12(25)18-11-30-20(22-18)23-19(26)16-10-15(8-9-17(16)21)31(27,28)24(2)13-4-6-14(29-3)7-5-13/h4-11H,1-3H3,(H,22,23,26)
InChIKeyVMTKJCOATBYFRK-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.09
Rot. Bonds7

About N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 55435213) has the molecular formula C20H18ClN3O5S2 and a molecular weight of 479.97 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID55435213
Molecular FormulaC20H18ClN3O5S2
Molecular Weight479.97 g/mol
Exact Mass479.04
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(C(C)=O)cs3)c2)cc1
InChIInChI=1S/C20H18ClN3O5S2/c1-12(25)18-11-30-20(22-18)23-19(26)16-10-15(8-9-17(16)21)31(27,28)24(2)13-4-6-14(29-3)7-5-13/h4-11H,1-3H3,(H,22,23,26)
InChIKeyVMTKJCOATBYFRK-UHFFFAOYSA-N
XLogP4.09
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(4-fluoro-2-methylphenyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 16551413
2-chloro-N-(1-cyclopropylethyl)-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17473386
2-chloro-N-(2,4-dimethoxyphenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2709372
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577
methyl 1-[[2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55561055
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 4132778
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55581937
N-(4-acetyl-1,3-thiazol-2-yl)-4-chloro-2-methoxybenzamide
CID 47450057
N-(4-acetyl-1,3-thiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55435386
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
2-[(2,5-dichlorobenzoyl)amino]-5-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenoxy]benzoic acid
CID 44513543

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 55435213) is N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(C(C)=O)cs3)c2)cc1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is VMTKJCOATBYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O5S2/c1-12(25)18-11-30-20(22-18)23-19(26)16-10-15(8-9-17(16)21)31(27,28)24(2)13-4-6-14(29-3)7-5-13/h4-11H,1-3H3,(H,22,23,26).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 479.97 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 55435213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).