N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C21H22ClF3N2OS — CID 176738515

IUPACN-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1cc(N2CCc3cc(Cl)sc3C2)cc(C)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C21H22ClF3N2OS/c1-12-7-15(27-6-3-14-9-17(22)29-16(14)11-27)8-13(2)19(12)26-18(28)10-20(4-5-20)21(23,24)25/h7-9H,3-6,10-11H2,1-2H3,(H,26,28)
InChIKeyUGFLZIYLCKRIFG-UHFFFAOYSA-N
MW442.93 g/mol
LogP6.25
Rot. Bonds4

About N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 176738515) has the molecular formula C21H22ClF3N2OS and a molecular weight of 442.93 g/mol. Its IUPAC name is N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID176738515
Molecular FormulaC21H22ClF3N2OS
Molecular Weight442.93 g/mol
Exact Mass442.11
IUPAC NameN-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1cc(N2CCc3cc(Cl)sc3C2)cc(C)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C21H22ClF3N2OS/c1-12-7-15(27-6-3-14-9-17(22)29-16(14)11-27)8-13(2)19(12)26-18(28)10-20(4-5-20)21(23,24)25/h7-9H,3-6,10-11H2,1-2H3,(H,26,28)
InChIKeyUGFLZIYLCKRIFG-UHFFFAOYSA-N
XLogP6.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.93
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chloro-4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide
CID 176738392
2-(1-fluorocyclopropyl)-N-[4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2,6-dimethylphenyl]acetamide
CID 176738439
N-[4-(2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 176738555
N-[4-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]-2-(1-methylcyclopropyl)acetamide
CID 176738368
N-[2,6-dimethyl-4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]-3,3-dimethylbutanamide
CID 24937078
N-[4-(2-fluoro-4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 147695605
2-(3,3-difluorocyclobutyl)-N-[2,6-dimethyl-4-[2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]phenyl]acetamide
CID 176711146
N-[2-(3,4-difluorophenyl)-6,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
CID 177096222
N-[2,6-dimethyl-4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]-3,3-dimethyl-4-sulfanylbutanamide
CID 87186223
2-(3,4-dichlorophenyl)-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]acetamide
CID 123984754
N-[4-(2-chloro-5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 146862747
N-[2,6-dimethyl-4-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 58097328

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 176738515) is N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is Cc1cc(N2CCc3cc(Cl)sc3C2)cc(C)c1NC(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is UGFLZIYLCKRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2OS/c1-12-7-15(27-6-3-14-9-17(22)29-16(14)11-27)8-13(2)19(12)26-18(28)10-20(4-5-20)21(23,24)25/h7-9H,3-6,10-11H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 442.93 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloro-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-2,6-dimethylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 176738515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).