N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide

C19H18N2O3S2 — CID 7565614

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1C
InChIInChI=1S/C19H18N2O3S2/c1-12-7-8-14(9-13(12)2)17-11-25-19(20-17)21-18(22)15-5-4-6-16(10-15)26(3,23)24/h4-11H,1-3H3,(H,20,21,22)
InChIKeyUCQIJPGNEOVDOT-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.08
Rot. Bonds4

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide (PubChem CID 7565614) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
PubChem CID7565614
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1C
InChIInChI=1S/C19H18N2O3S2/c1-12-7-8-14(9-13(12)2)17-11-25-19(20-17)21-18(22)15-5-4-6-16(10-15)26(3,23)24/h4-11H,1-3H3,(H,20,21,22)
InChIKeyUCQIJPGNEOVDOT-UHFFFAOYSA-N
XLogP4.08
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
3-methylsulfonyl-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16799635
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587128
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
3-(dimethylsulfamoyl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 55468913
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295218
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
4-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)benzamide
CID 26115626

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide (CID 7565614) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide is Cc1ccc(-c2csc(NC(=O)c3cccc(S(C)(=O)=O)c3)n2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
The InChIKey is UCQIJPGNEOVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-12-7-8-14(9-13(12)2)17-11-25-19(20-17)21-18(22)15-5-4-6-16(10-15)26(3,23)24/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 7565614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).