4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide

C17H16N2O3S3 — CID 42008359

IUPAC4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)n2)s1
InChIInChI=1S/C17H16N2O3S3/c1-11-3-8-15(24-11)14-9-23-17(18-14)19-16(20)13-6-4-12(5-7-13)10-25(2,21)22/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyXRZLKMXFNWLOJY-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.98
Rot. Bonds5

About 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide

4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 42008359) has the molecular formula C17H16N2O3S3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID42008359
Molecular FormulaC17H16N2O3S3
Molecular Weight392.53 g/mol
Exact Mass392.03
IUPAC Name4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)n2)s1
InChIInChI=1S/C17H16N2O3S3/c1-11-3-8-15(24-11)14-9-23-17(18-14)19-16(20)13-6-4-12(5-7-13)10-25(2,21)22/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyXRZLKMXFNWLOJY-UHFFFAOYSA-N
XLogP3.98
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
4-[methyl(propan-2-yl)sulfamoyl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 35804701
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 51146352
N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24570119
3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42009828
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
3-(methylsulfonylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 27666286
3-(methylsulfonylmethyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9192718
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 42008359) is 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3ccc(CS(C)(=O)=O)cc3)n2)s1.
What is the InChIKey of 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is XRZLKMXFNWLOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S3/c1-11-3-8-15(24-11)14-9-23-17(18-14)19-16(20)13-6-4-12(5-7-13)10-25(2,21)22/h3-9H,10H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide?
4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 392.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42008359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).