N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

C15H16N2O3S2 — CID 3245390

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S2/c1-16(22(19,20)15-7-4-10-21-15)11-14(18)17-9-8-12-5-2-3-6-13(12)17/h2-7,10H,8-9,11H2,1H3
InChIKeyNHQIKFPAGQAAJH-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 3245390) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
PubChem CID3245390
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S2/c1-16(22(19,20)15-7-4-10-21-15)11-14(18)17-9-8-12-5-2-3-6-13(12)17/h2-7,10H,8-9,11H2,1H3
InChIKeyNHQIKFPAGQAAJH-UHFFFAOYSA-N
XLogP1.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-5-{[(2-thienylmethyl)amino]sulfonyl}indolin-2-one
CID 1511491
1-(Thiophene-2-sulfonyl)-2,3-dihydro-1H-indole
CID 654187
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
1-[3-(2-Thienyl)acryloyl]indoline
CID 885474
N-methyl-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-3-carboxamide
CID 46891055
2,3-dihydro-1H-indol-1-yl[4-(isopropylsulfonyl)-5-(methylthio)-2-thienyl]methanone
CID 621938
1-[(Phenylsulfonyl)acetyl]indoline
CID 2990897
2-methyl-1-[1-(thiophene-2-sulfonyl)piperidine-4-carbonyl]-2,3-dihydro-1H-indole
CID 2999266
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 3190318
2-[(4-methylphenyl)(thien-2-ylsulfonyl)amino]-N-(thien-2-ylmethyl)acetamide
CID 3236370
5-bromo-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methyl-2-thiophenesulfonamide
CID 3238258
N~1~-(3-fluoro-4-methylphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3245041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide (CID 3245390) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide is CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is NHQIKFPAGQAAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-16(22(19,20)15-7-4-10-21-15)11-14(18)17-9-8-12-5-2-3-6-13(12)17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 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-oxoethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 3245390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).