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

C21H26N2OS — CID 92711438

IUPACN-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide
SMILESCCc1c(C)sc2c1CCN(CC(=O)NC1CC1)[C@H]2c1ccccc1
InChIInChI=1S/C21H26N2OS/c1-3-17-14(2)25-21-18(17)11-12-23(13-19(24)22-16-9-10-16)20(21)15-7-5-4-6-8-15/h4-8,16,20H,3,9-13H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyBMNZMHVDCVTSEO-FQEVSTJZSA-N
MW354.52 g/mol
LogP3.85
Rot. Bonds5

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

N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide (PubChem CID 92711438) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide
PubChem CID92711438
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide
SMILESCCc1c(C)sc2c1CCN(CC(=O)NC1CC1)[C@H]2c1ccccc1
InChIInChI=1S/C21H26N2OS/c1-3-17-14(2)25-21-18(17)11-12-23(13-19(24)22-16-9-10-16)20(21)15-7-5-4-6-8-15/h4-8,16,20H,3,9-13H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyBMNZMHVDCVTSEO-FQEVSTJZSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide
CID 20964320
(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 92502163
N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964439
N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964435
N-cyclopropyl-2-[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]acetamide
CID 95630149
N-(cyclopropylcarbamoyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 9288643
N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964455
N-cyclopropyl-2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 17404082
N-(4-methylphenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492704
N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide
CID 40882407
N-[(2-methylphenyl)methyl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46564008
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide (CID 92711438) is N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide is CCc1c(C)sc2c1CCN(CC(=O)NC1CC1)[C@H]2c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide?
The InChIKey is BMNZMHVDCVTSEO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-3-17-14(2)25-21-18(17)11-12-23(13-19(24)22-16-9-10-16)20(21)15-7-5-4-6-8-15/h4-8,16,20H,3,9-13H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide?
N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide has a molecular weight of 354.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 92711438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).