2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide

C17H18N6O2S — CID 8809293

IUPAC2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C17H18N6O2S/c1-2-11-5-3-4-6-13(11)22-14(24)9-20-15(25)10-26-17-21-8-12(7-18)16(19)23-17/h3-6,8H,2,9-10H2,1H3,(H,20,25)(H,22,24)(H2,19,21,23)
InChIKeyCSFQDTARWFQURF-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.34
Rot. Bonds7

About 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide

2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide (PubChem CID 8809293) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
PubChem CID8809293
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C17H18N6O2S/c1-2-11-5-3-4-6-13(11)22-14(24)9-20-15(25)10-26-17-21-8-12(7-18)16(19)23-17/h3-6,8H,2,9-10H2,1H3,(H,20,25)(H,22,24)(H2,19,21,23)
InChIKeyCSFQDTARWFQURF-UHFFFAOYSA-N
XLogP1.34
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-hydroxyphenyl)acetamide
CID 6492735
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40662535
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
CID 31465715
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 6499896
(2S)-2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-ethylpropanamide
CID 8809320
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 40695200
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8699125
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
CID 3163187
2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 50769771
N-(2-ethylphenyl)-2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 40750211
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 37330745

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide (CID 8809293) is 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CNC(=O)CSc1ncc(C#N)c(N)n1.
What is the InChIKey of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide?
The InChIKey is CSFQDTARWFQURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-2-11-5-3-4-6-13(11)22-14(24)9-20-15(25)10-26-17-21-8-12(7-18)16(19)23-17/h3-6,8H,2,9-10H2,1H3,(H,20,25)(H,22,24)(H2,19,21,23).
What are the key properties of 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide?
2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide has a molecular weight of 370.44 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8809293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).