2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide

C17H17N3OS2 — CID 4809970

IUPAC2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3OS2/c1-2-8-18-15(21)10-22-16-13-9-14(12-6-4-3-5-7-12)23-17(13)20-11-19-16/h3-7,9,11H,2,8,10H2,1H3,(H,18,21)
InChIKeyIQQOWCXBAIEELY-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.98
Rot. Bonds6

About 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide

2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide (PubChem CID 4809970) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
PubChem CID4809970
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H17N3OS2/c1-2-8-18-15(21)10-22-16-13-9-14(12-6-4-3-5-7-12)23-17(13)20-11-19-16/h3-7,9,11H,2,8,10H2,1H3,(H,18,21)
InChIKeyIQQOWCXBAIEELY-UHFFFAOYSA-N
XLogP3.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-butylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4811737
N-(3-fluoro-4-methylphenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7906126
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
N-(3-cyanophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2488093
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958
2-[6-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 162676425
N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2090541
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 6600310
N-(4-morpholin-4-ylphenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2124706
N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085150
N-(4-methoxyphenyl)-2-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide
CID 16541510
N-butyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2393174

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
The IUPAC name of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide (CID 4809970) is 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
The canonical SMILES for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide is CCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
The InChIKey is IQQOWCXBAIEELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-2-8-18-15(21)10-22-16-13-9-14(12-6-4-3-5-7-12)23-17(13)20-11-19-16/h3-7,9,11H,2,8,10H2,1H3,(H,18,21).
What are the key properties of 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide?
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide has a molecular weight of 343.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 4809970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).