2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide

C19H19N3O2S2 — CID 31188837

IUPAC2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCn1c(SCC(=O)NCC2(c3ccccc3)CC2)nc2sccc2c1=O
InChIInChI=1S/C19H19N3O2S2/c1-22-17(24)14-7-10-25-16(14)21-18(22)26-11-15(23)20-12-19(8-9-19)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyFRLJCGJQMJJQGZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.94
Rot. Bonds6

About 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide

2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 31188837) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID31188837
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCn1c(SCC(=O)NCC2(c3ccccc3)CC2)nc2sccc2c1=O
InChIInChI=1S/C19H19N3O2S2/c1-22-17(24)14-7-10-25-16(14)21-18(22)26-11-15(23)20-12-19(8-9-19)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyFRLJCGJQMJJQGZ-UHFFFAOYSA-N
XLogP2.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 51215600
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 55752674
N-(2-fluorophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772809
N-[[4-(dimethylamino)phenyl]methyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 34646786
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 35772750
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34646802
N-(4-bromophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772686
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 35772849
2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-3-methylthieno[2,3-d]pyrimidin-4-one
CID 33075550
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 39803644
4-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-phenylbenzamide
CID 37141715

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 31188837) is 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide is Cn1c(SCC(=O)NCC2(c3ccccc3)CC2)nc2sccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is FRLJCGJQMJJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-22-17(24)14-7-10-25-16(14)21-18(22)26-11-15(23)20-12-19(8-9-19)13-5-3-2-4-6-13/h2-7,10H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 31188837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).