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

C19H22N2OS — CID 9001964

IUPAC2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c1
InChIInChI=1S/C19H22N2OS/c1-13-3-2-4-15(11-13)20-18(22)12-21-9-7-17-16(8-10-23-17)19(21)14-5-6-14/h2-4,8,10-11,14,19H,5-7,9,12H2,1H3,(H,20,22)/t19-/m1/s1
InChIKeyHKJNJAPJADBKCE-LJQANCHMSA-N
MW326.47 g/mol
LogP4.00
Rot. Bonds4

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

2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide (PubChem CID 9001964) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
PubChem CID9001964
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c1
InChIInChI=1S/C19H22N2OS/c1-13-3-2-4-15(11-13)20-18(22)12-21-9-7-17-16(8-10-23-17)19(21)14-5-6-14/h2-4,8,10-11,14,19H,5-7,9,12H2,1H3,(H,20,22)/t19-/m1/s1
InChIKeyHKJNJAPJADBKCE-LJQANCHMSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9002326
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
CID 9002193
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9001883
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
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-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9001869
N-(3-fluorophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000151
N-(5-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002705
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9002332
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002146

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-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide (CID 9001964) is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCc3sccc3[C@H]2C2CC2)c1.
What is the InChIKey of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is HKJNJAPJADBKCE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13-3-2-4-15(11-13)20-18(22)12-21-9-7-17-16(8-10-23-17)19(21)14-5-6-14/h2-4,8,10-11,14,19H,5-7,9,12H2,1H3,(H,20,22)/t19-/m1/s1.
What are the key properties of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide?
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 326.47 g/mol, XLogP of 4.00, 4 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 9001964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).