N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride

C18H22ClFN2OS — CID 67850700

IUPACN-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride
SMILESC[C@@H]1Cc2ccsc2[C@H](C)N1CCNC(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C18H21FN2OS.ClH/c1-12-10-14-6-9-23-17(14)13(2)21(12)8-7-20-18(22)15-4-3-5-16(19)11-15;/h3-6,9,11-13H,7-8,10H2,1-2H3,(H,20,22);1H/t12-,13+;/m1./s1
InChIKeyQYKDLFKIYDMHNI-KZCZEQIWSA-N
MW368.91 g/mol
LogP4.05
Rot. Bonds4

About N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride

N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride (PubChem CID 67850700) has the molecular formula C18H22ClFN2OS and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride
PubChem CID67850700
Molecular FormulaC18H22ClFN2OS
Molecular Weight368.91 g/mol
Exact Mass368.11
IUPAC NameN-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride
SMILESC[C@@H]1Cc2ccsc2[C@H](C)N1CCNC(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C18H21FN2OS.ClH/c1-12-10-14-6-9-23-17(14)13(2)21(12)8-7-20-18(22)15-4-3-5-16(19)11-15;/h3-6,9,11-13H,7-8,10H2,1-2H3,(H,20,22);1H/t12-,13+;/m1./s1
InChIKeyQYKDLFKIYDMHNI-KZCZEQIWSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride?
The IUPAC name of N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride (CID 67850700) is N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride is C[C@@H]1Cc2ccsc2[C@H](C)N1CCNC(=O)c1cccc(F)c1.Cl.
What is the InChIKey of N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride?
The InChIKey is QYKDLFKIYDMHNI-KZCZEQIWSA-N. The full InChI is InChI=1S/C18H21FN2OS.ClH/c1-12-10-14-6-9-23-17(14)13(2)21(12)8-7-20-18(22)15-4-3-5-16(19)11-15;/h3-6,9,11-13H,7-8,10H2,1-2H3,(H,20,22);1H/t12-,13+;/m1./s1.
What are the key properties of N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride?
N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 67850700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).