N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

C17H14Cl2N2O3S3 — CID 18587027

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1
InChIInChI=1S/C17H14Cl2N2O3S3/c1-2-27(23,24)11-5-3-10(4-6-11)7-15(22)21-17-20-13(9-25-17)12-8-14(18)26-16(12)19/h3-6,8-9H,2,7H2,1H3,(H,20,21,22)
InChIKeyBLNGBTZYYPEWSE-UHFFFAOYSA-N
MW461.42 g/mol
LogP5.15
Rot. Bonds6

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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 18587027) has the molecular formula C17H14Cl2N2O3S3 and a molecular weight of 461.42 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID18587027
Molecular FormulaC17H14Cl2N2O3S3
Molecular Weight461.42 g/mol
Exact Mass459.95
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1
InChIInChI=1S/C17H14Cl2N2O3S3/c1-2-27(23,24)11-5-3-10(4-6-11)7-15(22)21-17-20-13(9-25-17)12-8-14(18)26-16(12)19/h3-6,8-9H,2,7H2,1H3,(H,20,21,22)
InChIKeyBLNGBTZYYPEWSE-UHFFFAOYSA-N
XLogP5.15
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]pentanamide
CID 4145582
2-(4-ethylsulfonylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 18587057
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151831
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(2-propoxyphenoxy)acetamide
CID 16564275
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 16564281
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 8609952
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-(4-propylsulfonylphenyl)acetamide
CID 163515050
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide (CID 18587027) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is BLNGBTZYYPEWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S3/c1-2-27(23,24)11-5-3-10(4-6-11)7-15(22)21-17-20-13(9-25-17)12-8-14(18)26-16(12)19/h3-6,8-9H,2,7H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 461.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 18587027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).