2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C22H25N3OS — CID 9002999

IUPAC2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1C1CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3OS/c26-21(23-10-7-16-13-24-19-4-2-1-3-17(16)19)14-25-11-8-20-18(9-12-27-20)22(25)15-5-6-15/h1-4,9,12-13,15,22,24H,5-8,10-11,14H2,(H,23,26)/t22-/m0/s1
InChIKeyLGVDHQYSCYAFEO-QFIPXVFZSA-N
MW379.53 g/mol
LogP3.90
Rot. Bonds6

About 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 9002999) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID9002999
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCc2sccc2[C@@H]1C1CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H25N3OS/c26-21(23-10-7-16-13-24-19-4-2-1-3-17(16)19)14-25-11-8-20-18(9-12-27-20)22(25)15-5-6-15/h1-4,9,12-13,15,22,24H,5-8,10-11,14H2,(H,23,26)/t22-/m0/s1
InChIKeyLGVDHQYSCYAFEO-QFIPXVFZSA-N
XLogP3.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 32750927
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 9002046
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46981333
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 9002999) is 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN1CCc2sccc2[C@@H]1C1CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is LGVDHQYSCYAFEO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3OS/c26-21(23-10-7-16-13-24-19-4-2-1-3-17(16)19)14-25-11-8-20-18(9-12-27-20)22(25)15-5-6-15/h1-4,9,12-13,15,22,24H,5-8,10-11,14H2,(H,23,26)/t22-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 9002999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).