4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide

C21H24N2O2S — CID 51121033

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NC1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O2S/c24-20(22-18-6-5-15-3-1-2-4-16(15)13-18)7-8-21(25)23-11-9-19-17(14-23)10-12-26-19/h1-4,10,12,18H,5-9,11,13-14H2,(H,22,24)
InChIKeyHCRNVVBCPGGUEJ-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.09
Rot. Bonds4

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 51121033) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
PubChem CID51121033
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1)NC1CCc2ccccc2C1
InChIInChI=1S/C21H24N2O2S/c24-20(22-18-6-5-15-3-1-2-4-16(15)13-18)7-8-21(25)23-11-9-19-17(14-23)10-12-26-19/h1-4,10,12,18H,5-9,11,13-14H2,(H,22,24)
InChIKeyHCRNVVBCPGGUEJ-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxobutanamide
CID 55873217
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione;hydrochloride
CID 119623873
N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 49351109
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
CID 56518355
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 146084705
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxobutanamide
CID 55872768
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide (CID 51121033) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide is O=C(CCC(=O)N1CCc2sccc2C1)NC1CCc2ccccc2C1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is HCRNVVBCPGGUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-20(22-18-6-5-15-3-1-2-4-16(15)13-18)7-8-21(25)23-11-9-19-17(14-23)10-12-26-19/h1-4,10,12,18H,5-9,11,13-14H2,(H,22,24).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 368.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 51121033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).