(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone

C16H14F3NO3S2 — CID 55567185

IUPAC(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO3S2/c1-10-13-7-9-24-14(13)6-8-20(10)15(21)11-2-4-12(5-3-11)25(22,23)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3
InChIKeyMLAVJQBIIPBXQC-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.80
Rot. Bonds2

About (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone (PubChem CID 55567185) has the molecular formula C16H14F3NO3S2 and a molecular weight of 389.42 g/mol. Its IUPAC name is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
PubChem CID55567185
Molecular FormulaC16H14F3NO3S2
Molecular Weight389.42 g/mol
Exact Mass389.04
IUPAC Name(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
SMILESCC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO3S2/c1-10-13-7-9-24-14(13)6-8-20(10)15(21)11-2-4-12(5-3-11)25(22,23)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3
InChIKeyMLAVJQBIIPBXQC-UHFFFAOYSA-N
XLogP3.80
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-nitrophenyl)methanone
CID 8948751
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 8949553
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 8949501
tert-butyl N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]carbamate
CID 45352504
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 32691507
2,2,2-trifluoroethyl 4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 65173549
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 95350854
(3-iodophenyl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 8948818

Frequently Asked Questions

What is the IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
The IUPAC name of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone (CID 55567185) is (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone.
What is the SMILES notation for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
The canonical SMILES for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone is CC1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
The InChIKey is MLAVJQBIIPBXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S2/c1-10-13-7-9-24-14(13)6-8-20(10)15(21)11-2-4-12(5-3-11)25(22,23)16(17,18)19/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone?
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone has a molecular weight of 389.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone is sourced from PubChem (CID 55567185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).