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5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

C23H26N4O5S — CID 66851161

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3scc(COCC4CCC(C(N)=O)C4)c3c(=O)[nH]2)c1
InChIInChI=1S/C23H26N4O5S/c1-31-17-4-2-3-13(8-17)9-25-22(30)20-26-21(29)18-16(12-33-23(18)27-20)11-32-10-14-5-6-15(7-14)19(24)28/h2-4,8,12,14-15H,5-7,9-11H2,1H3,(H2,24,28)(H,25,30)(H,26,27,29)
InChIKeyMOHKAZOXYUGRFC-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.34
Rot. Bonds9

About 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide

5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 66851161) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID66851161
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2nc3scc(COCC4CCC(C(N)=O)C4)c3c(=O)[nH]2)c1
InChIInChI=1S/C23H26N4O5S/c1-31-17-4-2-3-13(8-17)9-25-22(30)20-26-21(29)18-16(12-33-23(18)27-20)11-32-10-14-5-6-15(7-14)19(24)28/h2-4,8,12,14-15H,5-7,9-11H2,1H3,(H2,24,28)(H,25,30)(H,26,27,29)
InChIKeyMOHKAZOXYUGRFC-UHFFFAOYSA-N
XLogP2.34
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 66851161) is 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is COc1cccc(CNC(=O)c2nc3scc(COCC4CCC(C(N)=O)C4)c3c(=O)[nH]2)c1.
What is the InChIKey of 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is MOHKAZOXYUGRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-31-17-4-2-3-13(8-17)9-25-22(30)20-26-21(29)18-16(12-33-23(18)27-20)11-32-10-14-5-6-15(7-14)19(24)28/h2-4,8,12,14-15H,5-7,9-11H2,1H3,(H2,24,28)(H,25,30)(H,26,27,29).
What are the key properties of 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylcyclopentyl)methoxymethyl]-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 66851161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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