N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C18H18FN3O2S — CID 39084711

IUPACN-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(F)cc2)sc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C18H18FN3O2S/c1-10-14-17(21-11(2)22(3)18(14)24)25-15(10)16(23)20-9-8-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeySSHYKIQGNXFGTO-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 39084711) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID39084711
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(F)cc2)sc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C18H18FN3O2S/c1-10-14-17(21-11(2)22(3)18(14)24)25-15(10)16(23)20-9-8-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeySSHYKIQGNXFGTO-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5-trimethyl-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084705
N-(2-methoxyethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084684
N-benzyl-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084664
N-(furan-2-ylmethyl)-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39084661
N-benzyl-N,2,3,5-tetramethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23766608
3,5-dimethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38502629
2,3,5-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 52985518
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55893315
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
methyl 5-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 9402747
2,5-dimethyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363858

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 39084711) is N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCc2ccc(F)cc2)sc2nc(C)n(C)c(=O)c12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SSHYKIQGNXFGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-10-14-17(21-11(2)22(3)18(14)24)25-15(10)16(23)20-9-8-12-4-6-13(19)7-5-12/h4-7H,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 39084711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).