2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide

C18H18N4O5S3 — CID 27372749

IUPAC2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c1
InChIInChI=1S/C18H18N4O5S3/c1-26-11-5-6-13(27-2)12(8-11)21-15(23)10-29-18-20-9-14(17(19)22-18)30(24,25)16-4-3-7-28-16/h3-9H,10H2,1-2H3,(H,21,23)(H2,19,20,22)
InChIKeyCNIBNRZQZHNJLU-UHFFFAOYSA-N
MW466.57 g/mol
LogP2.70
Rot. Bonds8

About 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide

2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 27372749) has the molecular formula C18H18N4O5S3 and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID27372749
Molecular FormulaC18H18N4O5S3
Molecular Weight466.57 g/mol
Exact Mass466.04
IUPAC Name2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c1
InChIInChI=1S/C18H18N4O5S3/c1-26-11-5-6-13(27-2)12(8-11)21-15(23)10-29-18-20-9-14(17(19)22-18)30(24,25)16-4-3-7-28-16/h3-9H,10H2,1-2H3,(H,21,23)(H2,19,20,22)
InChIKeyCNIBNRZQZHNJLU-UHFFFAOYSA-N
XLogP2.70
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 16832896
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-(3,4-dimethylphenyl)acetamide
CID 27372527
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-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(4-butylphenyl)acetamide
CID 50769761
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 27372796
N-(2,5-dimethoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3592973
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 3374727
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 50769858
N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17434098

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide (CID 27372749) is 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccs3)c(N)n2)c1.
What is the InChIKey of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is CNIBNRZQZHNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S3/c1-26-11-5-6-13(27-2)12(8-11)21-15(23)10-29-18-20-9-14(17(19)22-18)30(24,25)16-4-3-7-28-16/h3-9H,10H2,1-2H3,(H,21,23)(H2,19,20,22).
What are the key properties of 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 466.57 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-thiophen-2-ylsulfonylpyrimidin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 27372749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).