2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide

C16H12Cl2N4O3S3 — CID 27549299

IUPAC2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cc2)ncc1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H12Cl2N4O3S3/c17-9-1-3-10(4-2-9)21-13(23)8-26-16-20-7-11(15(19)22-16)28(24,25)14-6-5-12(18)27-14/h1-7H,8H2,(H,21,23)(H2,19,20,22)
InChIKeyPSVGCPMRSKABJL-UHFFFAOYSA-N
MW475.40 g/mol
LogP3.99
Rot. Bonds6

About 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide

2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide (PubChem CID 27549299) has the molecular formula C16H12Cl2N4O3S3 and a molecular weight of 475.40 g/mol. Its IUPAC name is 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide
PubChem CID27549299
Molecular FormulaC16H12Cl2N4O3S3
Molecular Weight475.40 g/mol
Exact Mass473.94
IUPAC Name2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(Cl)cc2)ncc1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H12Cl2N4O3S3/c17-9-1-3-10(4-2-9)21-13(23)8-26-16-20-7-11(15(19)22-16)28(24,25)14-6-5-12(18)27-14/h1-7H,8H2,(H,21,23)(H2,19,20,22)
InChIKeyPSVGCPMRSKABJL-UHFFFAOYSA-N
XLogP3.99
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 50769771
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 27372536
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 27372527
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(4-butylphenyl)acetamide
CID 50769761
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 16832924
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-benzylacetamide
CID 27558383
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 50769821
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 16832910
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 16832902
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 16832872
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 27372796
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
CID 106679046

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide (CID 27549299) is 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide is Nc1nc(SCC(=O)Nc2ccc(Cl)cc2)ncc1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide?
The InChIKey is PSVGCPMRSKABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3S3/c17-9-1-3-10(4-2-9)21-13(23)8-26-16-20-7-11(15(19)22-16)28(24,25)14-6-5-12(18)27-14/h1-7H,8H2,(H,21,23)(H2,19,20,22).
What are the key properties of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide?
2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide has a molecular weight of 475.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 27549299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).