N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C18H19N3O2S2 — CID 18074104

IUPACN-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOCC(C)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H19N3O2S2/c1-12(9-23-2)21-16(22)10-24-17-14-8-15(13-6-4-3-5-7-13)25-18(14)20-11-19-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyOWLPYRJWFAVURP-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.60
Rot. Bonds7

About N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 18074104) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID18074104
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOCC(C)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H19N3O2S2/c1-12(9-23-2)21-16(22)10-24-17-14-8-15(13-6-4-3-5-7-13)25-18(14)20-11-19-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyOWLPYRJWFAVURP-UHFFFAOYSA-N
XLogP3.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 18074104) is N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is COCC(C)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is OWLPYRJWFAVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12(9-23-2)21-16(22)10-24-17-14-8-15(13-6-4-3-5-7-13)25-18(14)20-11-19-17/h3-8,11-12H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 373.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 18074104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).