N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C21H19N3O2S3 — CID 29384962

IUPACN-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C
InChIInChI=1S/C21H19N3O2S3/c1-23(12-15-9-6-10-27-15)18(25)13-28-21-22-19-16(20(26)24(21)2)11-17(29-19)14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3
InChIKeyNEFUXWSVWQIPSN-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.47
Rot. Bonds6

About N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 29384962) has the molecular formula C21H19N3O2S3 and a molecular weight of 441.60 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID29384962
Molecular FormulaC21H19N3O2S3
Molecular Weight441.60 g/mol
Exact Mass441.06
IUPAC NameN-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C
InChIInChI=1S/C21H19N3O2S3/c1-23(12-15-9-6-10-27-15)18(25)13-28-21-22-19-16(20(26)24(21)2)11-17(29-19)14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3
InChIKeyNEFUXWSVWQIPSN-UHFFFAOYSA-N
XLogP4.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 29384962) is N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C.
What is the InChIKey of N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NEFUXWSVWQIPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S3/c1-23(12-15-9-6-10-27-15)18(25)13-28-21-22-19-16(20(26)24(21)2)11-17(29-19)14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 441.60 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 29384962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).