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

C18H16N4OS2 — CID 2079932

IUPACN-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H16N4OS2/c1-22(9-5-8-19)16(23)11-24-17-14-10-15(13-6-3-2-4-7-13)25-18(14)21-12-20-17/h2-4,6-7,10,12H,5,9,11H2,1H3
InChIKeyDCVWMSUSXZXKIR-UHFFFAOYSA-N
MW368.49 g/mol
LogP3.82
Rot. Bonds6

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

N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2079932) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2079932
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H16N4OS2/c1-22(9-5-8-19)16(23)11-24-17-14-10-15(13-6-3-2-4-7-13)25-18(14)21-12-20-17/h2-4,6-7,10,12H,5,9,11H2,1H3
InChIKeyDCVWMSUSXZXKIR-UHFFFAOYSA-N
XLogP3.82
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2079932) is N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is DCVWMSUSXZXKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-22(9-5-8-19)16(23)11-24-17-14-10-15(13-6-3-2-4-7-13)25-18(14)21-12-20-17/h2-4,6-7,10,12H,5,9,11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 368.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2079932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).