2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

C23H27N3O3S2 — CID 46606254

IUPAC2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCCCCn1c(SCC(=O)NC2CCOc3ccccc32)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C23H27N3O3S2/c1-4-5-11-26-22(28)20-14(2)15(3)31-21(20)25-23(26)30-13-19(27)24-17-10-12-29-18-9-7-6-8-16(17)18/h6-9,17H,4-5,10-13H2,1-3H3,(H,24,27)
InChIKeyGJQNHSVQOGXYJO-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.61
Rot. Bonds7

About 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 46606254) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID46606254
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC Name2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCCCCn1c(SCC(=O)NC2CCOc3ccccc32)nc2sc(C)c(C)c2c1=O
InChIInChI=1S/C23H27N3O3S2/c1-4-5-11-26-22(28)20-14(2)15(3)31-21(20)25-23(26)30-13-19(27)24-17-10-12-29-18-9-7-6-8-16(17)18/h6-9,17H,4-5,10-13H2,1-3H3,(H,24,27)
InChIKeyGJQNHSVQOGXYJO-UHFFFAOYSA-N
XLogP4.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16619176
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 35056173
2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7183802
2-[[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetamide
CID 8578066
N-(5-bromo-2-pyridinyl)-2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 46666235
3-butyl-2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 112774385
2-[3-(3-ethoxypropyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 7738973
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 78789550
N'-[2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-4-nitrobenzohydrazide
CID 40781994
3-butyl-2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 55398469
2-[5,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 60549587
2-[3-(2-methoxyethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3173226

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide (CID 46606254) is 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is CCCCn1c(SCC(=O)NC2CCOc3ccccc32)nc2sc(C)c(C)c2c1=O.
What is the InChIKey of 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is GJQNHSVQOGXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-4-5-11-26-22(28)20-14(2)15(3)31-21(20)25-23(26)30-13-19(27)24-17-10-12-29-18-9-7-6-8-16(17)18/h6-9,17H,4-5,10-13H2,1-3H3,(H,24,27).
What are the key properties of 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 457.62 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 46606254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).