N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide

C16H16N2O2S — CID 110698086

IUPACN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-11-9-12-5-2-3-6-13(12)18(11)15(19)10-17-16(20)14-7-4-8-21-14/h2-8,11H,9-10H2,1H3,(H,17,20)
InChIKeyQMAAEEQFEZQYCM-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.46
Rot. Bonds3

About N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 110698086) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID110698086
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-11-9-12-5-2-3-6-13(12)18(11)15(19)10-17-16(20)14-7-4-8-21-14/h2-8,11H,9-10H2,1H3,(H,17,20)
InChIKeyQMAAEEQFEZQYCM-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
CID 112989553
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631403
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27260871
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-1-carbothioamide
CID 46800236
4-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-6-(thiophene-2-carbonyl)-1,4-benzoxazin-3-one
CID 92584903
N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide (CID 110698086) is N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide is CC1Cc2ccccc2N1C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is QMAAEEQFEZQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-9-12-5-2-3-6-13(12)18(11)15(19)10-17-16(20)14-7-4-8-21-14/h2-8,11H,9-10H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110698086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).