N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide

C17H18N2O2S — CID 18588020

IUPACN-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1C(=O)Cc1cccs1
InChIInChI=1S/C17H18N2O2S/c1-2-18-17(21)15-10-12-6-3-4-8-14(12)19(15)16(20)11-13-7-5-9-22-13/h3-9,15H,2,10-11H2,1H3,(H,18,21)
InChIKeyBXDWGOPKXGZRKY-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.38
Rot. Bonds4

About N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide

N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 18588020) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
PubChem CID18588020
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1C(=O)Cc1cccs1
InChIInChI=1S/C17H18N2O2S/c1-2-18-17(21)15-10-12-6-3-4-8-14(12)19(15)16(20)11-13-7-5-9-22-13/h3-9,15H,2,10-11H2,1H3,(H,18,21)
InChIKeyBXDWGOPKXGZRKY-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41429074
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113008488
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
(2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 92725524
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanone
CID 43550152
(3S)-2-ethylsulfonyl-N-(2-thiophen-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 33119829
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965
N-ethyl-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]-2,3-dihydroindole-2-carboxamide
CID 18588027
1-N-(2,3-dimethoxyphenyl)-2-N-ethyl-2,3-dihydroindole-1,2-dicarboxamide
CID 18588077

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide (CID 18588020) is N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide is CCNC(=O)C1Cc2ccccc2N1C(=O)Cc1cccs1.
What is the InChIKey of N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is BXDWGOPKXGZRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-2-18-17(21)15-10-12-6-3-4-8-14(12)19(15)16(20)11-13-7-5-9-22-13/h3-9,15H,2,10-11H2,1H3,(H,18,21).
What are the key properties of N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide?
N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18588020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).