N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide

C15H18N2O2S2 — CID 18577734

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C15H18N2O2S2/c1-21(18,19)16-11-14(15-7-4-10-20-15)17-9-8-12-5-2-3-6-13(12)17/h2-7,10,14,16H,8-9,11H2,1H3
InChIKeyMFFGPERTRZYETK-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide (PubChem CID 18577734) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
PubChem CID18577734
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C15H18N2O2S2/c1-21(18,19)16-11-14(15-7-4-10-20-15)17-9-8-12-5-2-3-6-13(12)17/h2-7,10,14,16H,8-9,11H2,1H3
InChIKeyMFFGPERTRZYETK-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 41180985
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]methanesulfonamide
CID 7498440
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 18577709
1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
CID 7179244
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7179412
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 7179568
4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 7179316
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 7179544
N'-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-[3-(dimethylamino)propyl]oxamide
CID 7179407
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180955
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180956

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide (CID 18577734) is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide is CS(=O)(=O)NCC(c1cccs1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide?
The InChIKey is MFFGPERTRZYETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-21(18,19)16-11-14(15-7-4-10-20-15)17-9-8-12-5-2-3-6-13(12)17/h2-7,10,14,16H,8-9,11H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide has a molecular weight of 322.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide is sourced from PubChem (CID 18577734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).