N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C14H17N3O2S — CID 9267178

IUPACN-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NC1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-12(16-10-4-2-1-3-5-10)8-17-9-15-13-11(14(17)19)6-7-20-13/h6-7,9-10H,1-5,8H2,(H,16,18)
InChIKeyPDELPPWZDMGKKZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.91
Rot. Bonds3

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

N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 9267178) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID9267178
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NC1CCCCC1
InChIInChI=1S/C14H17N3O2S/c18-12(16-10-4-2-1-3-5-10)8-17-9-15-13-11(14(17)19)6-7-20-13/h6-7,9-10H,1-5,8H2,(H,16,18)
InChIKeyPDELPPWZDMGKKZ-UHFFFAOYSA-N
XLogP1.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372649
N-(2-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 16327118
N-cyclohexyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
CID 733723
N-(4-methylcyclohexyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9440274
3-[3-(2-Methylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 24640337
3-[3-(2-Ethylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 47017268
N-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-2-carboxamide
CID 51078244
3-(2-Aminoethyl)thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 138040267
N-(cyclopentylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594272
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 8852360
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8891032
N-(1,1-dioxothiolan-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 16287379

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 9267178) is N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is PDELPPWZDMGKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-12(16-10-4-2-1-3-5-10)8-17-9-15-13-11(14(17)19)6-7-20-13/h6-7,9-10H,1-5,8H2,(H,16,18).
What are the key properties of N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 9267178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).