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

C18H17ClN4O3S3 — CID 50769771

IUPAC2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1
InChIInChI=1S/C18H17ClN4O3S3/c1-2-11-5-3-4-6-12(11)22-15(24)10-27-18-21-9-13(17(20)23-18)29(25,26)16-8-7-14(19)28-16/h3-9H,2,10H2,1H3,(H,22,24)(H2,20,21,23)
InChIKeyVDYGZAMGLPQBJY-UHFFFAOYSA-N
MW469.01 g/mol
LogP3.90
Rot. Bonds7

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

2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide (PubChem CID 50769771) has the molecular formula C18H17ClN4O3S3 and a molecular weight of 469.01 g/mol. Its IUPAC name is 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
PubChem CID50769771
Molecular FormulaC18H17ClN4O3S3
Molecular Weight469.01 g/mol
Exact Mass468.02
IUPAC Name2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1
InChIInChI=1S/C18H17ClN4O3S3/c1-2-11-5-3-4-6-12(11)22-15(24)10-27-18-21-9-13(17(20)23-18)29(25,26)16-8-7-14(19)28-16/h3-9H,2,10H2,1H3,(H,22,24)(H2,20,21,23)
InChIKeyVDYGZAMGLPQBJY-UHFFFAOYSA-N
XLogP3.90
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 53.90
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-(4-chlorophenyl)acetamide
CID 27549299
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 50769821
2-[4-amino-5-(4-methylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 18590439
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-benzylacetamide
CID 27558383
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 16832910
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 27372536
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 16832924
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 27372749
2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8809293
2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 16832944
2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 16832902
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 27372527

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide (CID 50769771) is 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)s2)c(N)n1.
What is the InChIKey of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide?
The InChIKey is VDYGZAMGLPQBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S3/c1-2-11-5-3-4-6-12(11)22-15(24)10-27-18-21-9-13(17(20)23-18)29(25,26)16-8-7-14(19)28-16/h3-9H,2,10H2,1H3,(H,22,24)(H2,20,21,23).
What are the key properties of 2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide?
2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide has a molecular weight of 469.01 g/mol, XLogP of 3.90, 7 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-(2-ethylphenyl)acetamide is sourced from PubChem (CID 50769771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).