2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C20H21N3O3S2 — CID 45492469

IUPAC2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-26-15-8-6-13(7-9-15)21-17(24)12-28-20-22-16-10-11-27-18(16)19(25)23(20)14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,21,24)
InChIKeyQJFALNGKDVHGSR-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.31
Rot. Bonds6

About 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 45492469) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID45492469
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C2CCCC2)cc1
InChIInChI=1S/C20H21N3O3S2/c1-26-15-8-6-13(7-9-15)21-17(24)12-28-20-22-16-10-11-27-18(16)19(25)23(20)14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,21,24)
InChIKeyQJFALNGKDVHGSR-UHFFFAOYSA-N
XLogP4.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33335871
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525776
2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 95186087
methyl 4-[[2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
CID 46921960
N-(3,5-dimethoxyphenyl)-2-(4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33329351
methyl 4-[[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1155405
N-(4-methoxyphenyl)-6-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylthieno[3,2-d]pyrimidin-3-yl]hexanamide
CID 5323219
N-(4-acetamidophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198855
N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46922298
4-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27957508
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403
6-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)hexanamide
CID 5323217

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 45492469) is 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2C2CCCC2)cc1.
What is the InChIKey of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is QJFALNGKDVHGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-26-15-8-6-13(7-9-15)21-17(24)12-28-20-22-16-10-11-27-18(16)19(25)23(20)14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,21,24).
What are the key properties of 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 45492469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).