N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

C15H21N3O2S2 — CID 22430859

IUPACN-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCCC2)nc2c(c1=O)SCC2
InChIInChI=1S/C15H21N3O2S2/c1-2-18-14(20)13-11(7-8-21-13)17-15(18)22-9-12(19)16-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,16,19)
InChIKeyCPBFTTYXFDVRMB-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.06
Rot. Bonds5

About N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 22430859) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID22430859
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)NC2CCCC2)nc2c(c1=O)SCC2
InChIInChI=1S/C15H21N3O2S2/c1-2-18-14(20)13-11(7-8-21-13)17-15(18)22-9-12(19)16-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,16,19)
InChIKeyCPBFTTYXFDVRMB-UHFFFAOYSA-N
XLogP2.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-cyclopentyl-2-({3-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
CID 22430815
3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430825
3-ethyl-6-methyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4319366
2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475368
N-cyclohexyl-2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
CID 22430904
N-cyclopentyl-2-[(4-isopropyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135491354
N-Cyclopentyl-2-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135546304
N-cyclohexyl-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3238285
N-cyclohexyl-2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3240467
3,6-dimethyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4530998
3-methyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430776
3-ethyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430826

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 22430859) is N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is CCn1c(SCC(=O)NC2CCCC2)nc2c(c1=O)SCC2.
What is the InChIKey of N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is CPBFTTYXFDVRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-2-18-14(20)13-11(7-8-21-13)17-15(18)22-9-12(19)16-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,16,19).
What are the key properties of N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 339.49 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 22430859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).