2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C15H18F3N3O2S — CID 9002942

IUPAC2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1C1CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C15H18F3N3O2S/c16-15(17,18)8-19-14(23)20-12(22)7-21-5-3-11-10(4-6-24-11)13(21)9-1-2-9/h4,6,9,13H,1-3,5,7-8H2,(H2,19,20,22,23)/t13-/m0/s1
InChIKeySCYOJIPNESOHGU-ZDUSSCGKSA-N
MW361.39 g/mol
LogP2.45
Rot. Bonds4

About 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 9002942) has the molecular formula C15H18F3N3O2S and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID9002942
Molecular FormulaC15H18F3N3O2S
Molecular Weight361.39 g/mol
Exact Mass361.11
IUPAC Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1C1CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C15H18F3N3O2S/c16-15(17,18)8-19-14(23)20-12(22)7-21-5-3-11-10(4-6-24-11)13(21)9-1-2-9/h4,6,9,13H,1-3,5,7-8H2,(H2,19,20,22,23)/t13-/m0/s1
InChIKeySCYOJIPNESOHGU-ZDUSSCGKSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002665
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9001948
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
CID 9002193
2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51244387
N-(5-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002705
N-[2-(4-chlorophenoxy)ethyl]-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002929
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002146
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9001869
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9001883
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
CID 9001964
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9002326
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9002905

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 9002942) is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CN1CCc2sccc2[C@@H]1C1CC1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is SCYOJIPNESOHGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18F3N3O2S/c16-15(17,18)8-19-14(23)20-12(22)7-21-5-3-11-10(4-6-24-11)13(21)9-1-2-9/h4,6,9,13H,1-3,5,7-8H2,(H2,19,20,22,23)/t13-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 361.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 9002942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).