(2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide

C17H18N4O3S — CID 8665230

IUPAC(2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CSc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H18N4O3S/c1-3-18-16(23)10(2)21-13(22)8-25-17-15-14(19-9-20-17)11-6-4-5-7-12(11)24-15/h4-7,9-10H,3,8H2,1-2H3,(H,18,23)(H,21,22)/t10-/m1/s1
InChIKeyLTUAWSALPRJSEY-SNVBAGLBSA-N
MW358.42 g/mol
LogP2.11
Rot. Bonds6

About (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide

(2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide (PubChem CID 8665230) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide
PubChem CID8665230
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name(2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CSc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H18N4O3S/c1-3-18-16(23)10(2)21-13(22)8-25-17-15-14(19-9-20-17)11-6-4-5-7-12(11)24-15/h4-7,9-10H,3,8H2,1-2H3,(H,18,23)(H,21,22)/t10-/m1/s1
InChIKeyLTUAWSALPRJSEY-SNVBAGLBSA-N
XLogP2.11
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide with MolForge

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Related Compounds

2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
CID 8665174
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(2-ethoxyphenyl)acetamide
CID 2158329
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(phenylcarbamoyl)acetamide
CID 9385041
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(4-hydroxyphenyl)acetamide
CID 2017589
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456540
ethyl N-[2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]-ethylamino]acetyl]carbamate
CID 8665117
1-(1-benzofuran-2-yl)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanone
CID 2029081
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 2054014
4-benzylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 3131853
4-(naphthalen-1-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 2158341
(5-methyl-1,2-oxazol-3-yl)methyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate
CID 9063672
(2R)-N-ethyl-2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide
CID 8848686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide (CID 8665230) is (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NC(=O)CSc1ncnc2c1oc1ccccc12.
What is the InChIKey of (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is LTUAWSALPRJSEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-18-16(23)10(2)21-13(22)8-25-17-15-14(19-9-20-17)11-6-4-5-7-12(11)24-15/h4-7,9-10H,3,8H2,1-2H3,(H,18,23)(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide?
(2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 358.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 8665230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).