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

C21H26N2OS — CID 9002326

IUPAC2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@H]1C1CC1
InChIInChI=1S/C21H26N2OS/c1-3-15-6-4-5-14(2)20(15)22-19(24)13-23-11-9-18-17(10-12-25-18)21(23)16-7-8-16/h4-6,10,12,16,21H,3,7-9,11,13H2,1-2H3,(H,22,24)/t21-/m1/s1
InChIKeyWQDSOQSVPWUYLJ-OAQYLSRUSA-N
MW354.52 g/mol
LogP4.57
Rot. Bonds5

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

2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 9002326) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID9002326
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@H]1C1CC1
InChIInChI=1S/C21H26N2OS/c1-3-15-6-4-5-14(2)20(15)22-19(24)13-23-11-9-18-17(10-12-25-18)21(23)16-7-8-16/h4-6,10,12,16,21H,3,7-9,11,13H2,1-2H3,(H,22,24)/t21-/m1/s1
InChIKeyWQDSOQSVPWUYLJ-OAQYLSRUSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
CID 9001964
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
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9002332
methyl 3-[[2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]-4-methylbenzoate
CID 9002431
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 41195729
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-ethyl-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554808
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002146
N-cyclopentyl-2-[[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9002644
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
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 9002326) is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN1CCc2sccc2[C@H]1C1CC1.
What is the InChIKey of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is WQDSOQSVPWUYLJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-3-15-6-4-5-14(2)20(15)22-19(24)13-23-11-9-18-17(10-12-25-18)21(23)16-7-8-16/h4-6,10,12,16,21H,3,7-9,11,13H2,1-2H3,(H,22,24)/t21-/m1/s1.
What are the key properties of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 354.52 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 9002326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).