N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide

C17H18N2O2S — CID 110730223

IUPACN-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C17H18N2O2S/c20-16(8-7-12-4-3-11-22-12)18-10-9-14-13-5-1-2-6-15(13)19-17(14)21/h1-6,11,14H,7-10H2,(H,18,20)(H,19,21)
InChIKeyCKWJWTYSQOYQLH-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110730223) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110730223
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCC1C(=O)Nc2ccccc21
InChIInChI=1S/C17H18N2O2S/c20-16(8-7-12-4-3-11-22-12)18-10-9-14-13-5-1-2-6-15(13)19-17(14)21/h1-6,11,14H,7-10H2,(H,18,20)(H,19,21)
InChIKeyCKWJWTYSQOYQLH-UHFFFAOYSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110722163
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-phenoxyacetamide
CID 110730204
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 2803153
1-[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]ethyl]-3-phenylurea
CID 31771075
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]cyclohexanecarboxamide
CID 110730173
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 17488895
N-(2-acetamidoethyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694642
4-chloro-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]benzamide
CID 110730209
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482
2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 42569123

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 110730223) is N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCCC1C(=O)Nc2ccccc21.
What is the InChIKey of N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is CKWJWTYSQOYQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(8-7-12-4-3-11-22-12)18-10-9-14-13-5-1-2-6-15(13)19-17(14)21/h1-6,11,14H,7-10H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110730223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).