4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide

C19H17ClN2O4S2 — CID 26116977

IUPAC4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)sc2C)cc1
InChIInChI=1S/C19H17ClN2O4S2/c1-11-17(12-4-7-14(26-2)8-5-12)21-19(27-11)22-18(23)13-6-9-15(20)16(10-13)28(3,24)25/h4-10H,1-3H3,(H,21,22,23)
InChIKeyWBEHGRYIONQCNM-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.44
Rot. Bonds5

About 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide

4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide (PubChem CID 26116977) has the molecular formula C19H17ClN2O4S2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
PubChem CID26116977
Molecular FormulaC19H17ClN2O4S2
Molecular Weight436.94 g/mol
Exact Mass436.03
IUPAC Name4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)sc2C)cc1
InChIInChI=1S/C19H17ClN2O4S2/c1-11-17(12-4-7-14(26-2)8-5-12)21-19(27-11)22-18(23)13-6-9-15(20)16(10-13)28(3,24)25/h4-10H,1-3H3,(H,21,22,23)
InChIKeyWBEHGRYIONQCNM-UHFFFAOYSA-N
XLogP4.44
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696405
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
4-(2,5-dimethylpyrrol-1-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7916056
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 7598306
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide (CID 26116977) is 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide is COc1ccc(-c2nc(NC(=O)c3ccc(Cl)c(S(C)(=O)=O)c3)sc2C)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
The InChIKey is WBEHGRYIONQCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S2/c1-11-17(12-4-7-14(26-2)8-5-12)21-19(27-11)22-18(23)13-6-9-15(20)16(10-13)28(3,24)25/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide has a molecular weight of 436.94 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 26116977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).