3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide

C19H19N3O3S — CID 15994205

IUPAC3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCc1cccs1
InChIInChI=1S/C19H19N3O3S/c23-17(21-12-15-5-3-11-26-15)7-9-20-18(24)13-22-10-8-14-4-1-2-6-16(14)19(22)25/h1-6,8,10-11H,7,9,12-13H2,(H,20,24)(H,21,23)
InChIKeyOAIHMQXGUIASKI-UHFFFAOYSA-N
MW369.45 g/mol
LogP1.89
Rot. Bonds7

About 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide

3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 15994205) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID15994205
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCc1cccs1
InChIInChI=1S/C19H19N3O3S/c23-17(21-12-15-5-3-11-26-15)7-9-20-18(24)13-22-10-8-14-4-1-2-6-16(14)19(22)25/h1-6,8,10-11H,7,9,12-13H2,(H,20,24)(H,21,23)
InChIKeyOAIHMQXGUIASKI-UHFFFAOYSA-N
XLogP1.89
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53164237
3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-propan-2-ylpropanamide
CID 46506285
N-[2-[benzyl(methyl)amino]ethyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 3237972
N,N-diethyl-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 46506298
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 7023936
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanamide
CID 46506302
N-butyl-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15998064
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
2-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17432997
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
N-[2-(dimethylamino)ethyl]-N'-(thiophen-2-ylmethyl)butanediamide
CID 51362734

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide (CID 15994205) is 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCc1cccs1.
What is the InChIKey of 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OAIHMQXGUIASKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17(21-12-15-5-3-11-26-15)7-9-20-18(24)13-22-10-8-14-4-1-2-6-16(14)19(22)25/h1-6,8,10-11H,7,9,12-13H2,(H,20,24)(H,21,23).
What are the key properties of 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 15994205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).