N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide

C18H20F2N2OS — CID 19093993

IUPACN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide
SMILESCC1Cc2ccsc2C(C)N1CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2OS/c1-11-9-13-5-8-24-17(13)12(2)22(11)7-6-21-18(23)15-4-3-14(19)10-16(15)20/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,21,23)
InChIKeyDTPPANCIRGWBRZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.76
Rot. Bonds4

About N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide

N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide (PubChem CID 19093993) has the molecular formula C18H20F2N2OS and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide
PubChem CID19093993
Molecular FormulaC18H20F2N2OS
Molecular Weight350.43 g/mol
Exact Mass350.13
IUPAC NameN-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide
SMILESCC1Cc2ccsc2C(C)N1CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2OS/c1-11-9-13-5-8-24-17(13)12(2)22(11)7-6-21-18(23)15-4-3-14(19)10-16(15)20/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,21,23)
InChIKeyDTPPANCIRGWBRZ-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide with MolForge

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Related Compounds

N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-3-fluorobenzamide;hydrochloride
CID 67850700
4-amino-N-[2-[(5S,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]benzamide
CID 54294089
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
2,4-difluoro-N-[4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutyl]benzamide
CID 24504561
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
N-[2-[7-(4-chlorophenyl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-4-nitrobenzamide;hydrochloride
CID 19093856
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
CID 121139208
5-fluoro-2-iodo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]benzamide
CID 60616291
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide (CID 19093993) is N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide is CC1Cc2ccsc2C(C)N1CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide?
The InChIKey is DTPPANCIRGWBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2OS/c1-11-9-13-5-8-24-17(13)12(2)22(11)7-6-21-18(23)15-4-3-14(19)10-16(15)20/h3-5,8,10-12H,6-7,9H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide?
N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide has a molecular weight of 350.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 19093993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).