N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide

C16H13ClN2O3S3 — CID 16833194

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C16H13ClN2O3S3/c1-25(21,22)11-4-2-10(3-5-11)8-15(20)19-16-18-12(9-23-16)13-6-7-14(17)24-13/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyGIXHBIJQDQGJEM-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.11
Rot. Bonds5

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 16833194) has the molecular formula C16H13ClN2O3S3 and a molecular weight of 412.95 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID16833194
Molecular FormulaC16H13ClN2O3S3
Molecular Weight412.95 g/mol
Exact Mass411.98
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C16H13ClN2O3S3/c1-25(21,22)11-4-2-10(3-5-11)8-15(20)19-16-18-12(9-23-16)13-6-7-14(17)24-13/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyGIXHBIJQDQGJEM-UHFFFAOYSA-N
XLogP4.11
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide (CID 16833194) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is GIXHBIJQDQGJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S3/c1-25(21,22)11-4-2-10(3-5-11)8-15(20)19-16-18-12(9-23-16)13-6-7-14(17)24-13/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 412.95 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 16833194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).