N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C20H29N3O2S2 — CID 41035341

IUPACN-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCc1cc2c(=O)n(CCC(C)C)c(SCC(=O)NC3CCCC3)nc2s1
InChIInChI=1S/C20H29N3O2S2/c1-4-15-11-16-18(27-15)22-20(23(19(16)25)10-9-13(2)3)26-12-17(24)21-14-7-5-6-8-14/h11,13-14H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyAIEHWIVZNYBNAV-UHFFFAOYSA-N
MW407.61 g/mol
LogP4.22
Rot. Bonds8

About N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 41035341) has the molecular formula C20H29N3O2S2 and a molecular weight of 407.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID41035341
Molecular FormulaC20H29N3O2S2
Molecular Weight407.61 g/mol
Exact Mass407.17
IUPAC NameN-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCCc1cc2c(=O)n(CCC(C)C)c(SCC(=O)NC3CCCC3)nc2s1
InChIInChI=1S/C20H29N3O2S2/c1-4-15-11-16-18(27-15)22-20(23(19(16)25)10-9-13(2)3)26-12-17(24)21-14-7-5-6-8-14/h11,13-14H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyAIEHWIVZNYBNAV-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclohexyl-2-[6-ethyl-3-(3-methoxypropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 42159283
N-(cyclopentylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7465795
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 42899438
N-cyclooctyl-2-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 41338785
N-cyclopropyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 9265700
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7691725
2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7465789
2-(6-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
CID 7174412
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41300624
2-[(3-butyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-cyclopentylacetamide
CID 3586874
N-cyclopentyl-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
CID 1071246
2-[(5-butyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl)sulfanyl]-N-cyclopentylacetamide
CID 50770867

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 41035341) is N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is CCc1cc2c(=O)n(CCC(C)C)c(SCC(=O)NC3CCCC3)nc2s1.
What is the InChIKey of N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is AIEHWIVZNYBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S2/c1-4-15-11-16-18(27-15)22-20(23(19(16)25)10-9-13(2)3)26-12-17(24)21-14-7-5-6-8-14/h11,13-14H,4-10,12H2,1-3H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 407.61 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-ethyl-3-(3-methylbutyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 41035341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).