N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide

C17H15ClFN3O2S2 — CID 46567878

IUPACN-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCCn1c(SC(C)C(=O)Nc2ccc(F)c(Cl)c2)nc2ccsc2c1=O
InChIInChI=1S/C17H15ClFN3O2S2/c1-3-22-16(24)14-13(6-7-25-14)21-17(22)26-9(2)15(23)20-10-4-5-12(19)11(18)8-10/h4-9H,3H2,1-2H3,(H,20,23)
InChIKeySDEOYOPPNFSNQZ-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.39
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide

N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide (PubChem CID 46567878) has the molecular formula C17H15ClFN3O2S2 and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
PubChem CID46567878
Molecular FormulaC17H15ClFN3O2S2
Molecular Weight411.91 g/mol
Exact Mass411.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
SMILESCCn1c(SC(C)C(=O)Nc2ccc(F)c(Cl)c2)nc2ccsc2c1=O
InChIInChI=1S/C17H15ClFN3O2S2/c1-3-22-16(24)14-13(6-7-25-14)21-17(22)26-9(2)15(23)20-10-4-5-12(19)11(18)8-10/h4-9H,3H2,1-2H3,(H,20,23)
InChIKeySDEOYOPPNFSNQZ-UHFFFAOYSA-N
XLogP4.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 46567799
(2S)-2-[[5-(3-amino-3-oxopropyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383728
N-(3-chloro-4-cyanophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35201013
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8739908
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 46567728
N-(3,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46922341
N-(3,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46922344
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 46921486
N-[4-(dimethylamino)phenyl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
CID 51280346
N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622493
N-(3-chloro-4-methylphenyl)-2-[3-[(2-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 4129870
N-(3-cyanophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide
CID 51280333

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide (CID 46567878) is N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide is CCn1c(SC(C)C(=O)Nc2ccc(F)c(Cl)c2)nc2ccsc2c1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
The InChIKey is SDEOYOPPNFSNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S2/c1-3-22-16(24)14-13(6-7-25-14)21-17(22)26-9(2)15(23)20-10-4-5-12(19)11(18)8-10/h4-9H,3H2,1-2H3,(H,20,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide?
N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide has a molecular weight of 411.91 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46567878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).