2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide

C17H15ClN4O3S3 — CID 27372536

IUPAC2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1Cl
InChIInChI=1S/C17H15ClN4O3S3/c1-10-4-5-11(7-12(10)18)21-14(23)9-27-17-20-8-13(16(19)22-17)28(24,25)15-3-2-6-26-15/h2-8H,9H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyKIOZCVARMFSCRK-UHFFFAOYSA-N
MW454.99 g/mol
LogP3.65
Rot. Bonds6

About 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide

2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 27372536) has the molecular formula C17H15ClN4O3S3 and a molecular weight of 454.99 g/mol. Its IUPAC name is 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID27372536
Molecular FormulaC17H15ClN4O3S3
Molecular Weight454.99 g/mol
Exact Mass454.00
IUPAC Name2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1Cl
InChIInChI=1S/C17H15ClN4O3S3/c1-10-4-5-11(7-12(10)18)21-14(23)9-27-17-20-8-13(16(19)22-17)28(24,25)15-3-2-6-26-15/h2-8H,9H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyKIOZCVARMFSCRK-UHFFFAOYSA-N
XLogP3.65
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 27372749
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 27372796
2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 27549299
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 50769795
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 50769858
2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 20910523
2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-(3-ethylphenyl)acetamide
CID 16832934
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 50769821

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide (CID 27372536) is 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)cc1Cl.
What is the InChIKey of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is KIOZCVARMFSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S3/c1-10-4-5-11(7-12(10)18)21-14(23)9-27-17-20-8-13(16(19)22-17)28(24,25)15-3-2-6-26-15/h2-8H,9H2,1H3,(H,21,23)(H2,19,20,22).
What are the key properties of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide?
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 454.99 g/mol, XLogP of 3.65, 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-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 27372536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).