N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide

C15H19N3O3S — CID 3239877

IUPACN-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCCC1
InChIInChI=1S/C15H19N3O3S/c19-12(16-10-5-3-1-2-4-6-10)9-18-14(20)13-11(7-8-22-13)17-15(18)21/h7-8,10H,1-6,9H2,(H,16,19)(H,17,21)
InChIKeyCPJLYURHVVPBMP-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.59
Rot. Bonds3

About N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide

N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 3239877) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID3239877
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCCC1
InChIInChI=1S/C15H19N3O3S/c19-12(16-10-5-3-1-2-4-6-10)9-18-14(20)13-11(7-8-22-13)17-15(18)21/h7-8,10H,1-6,9H2,(H,16,19)(H,17,21)
InChIKeyCPJLYURHVVPBMP-UHFFFAOYSA-N
XLogP1.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide
CID 4647526
N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603459
N-(2,3-dimethylcyclohexyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
CID 4583346
N-cyclopentyl-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6619388
N-cyclohexyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396089
N-cyclohexyl-2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 15992630
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3575140
N-cyclopentyl-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396035
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-benzyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 56686605
5-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-phenylpentanamide
CID 22422855

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide (CID 3239877) is N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide is O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is CPJLYURHVVPBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-12(16-10-5-3-1-2-4-6-10)9-18-14(20)13-11(7-8-22-13)17-15(18)21/h7-8,10H,1-6,9H2,(H,16,19)(H,17,21).
What are the key properties of N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide?
N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 3239877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).