N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide

C18H22N2O3S2 — CID 110351772

IUPACN-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H22N2O3S2/c1-13(2)12-15(19-25(22,23)17-8-5-11-24-17)18(21)20-10-9-14-6-3-4-7-16(14)20/h3-8,11,13,15,19H,9-10,12H2,1-2H3/t15-/m0/s1
InChIKeyDUKQRYVEIVBWMN-HNNXBMFYSA-N
MW378.52 g/mol
LogP3.03
Rot. Bonds6

About N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide

N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide (PubChem CID 110351772) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
PubChem CID110351772
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H22N2O3S2/c1-13(2)12-15(19-25(22,23)17-8-5-11-24-17)18(21)20-10-9-14-6-3-4-7-16(14)20/h3-8,11,13,15,19H,9-10,12H2,1-2H3/t15-/m0/s1
InChIKeyDUKQRYVEIVBWMN-HNNXBMFYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-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

N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]propane-1-sulfonamide
CID 110351767
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-2-thiophen-2-ylacetamide
CID 110351747
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110351776
methyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351760
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propan-1-one
CID 8512419
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5053534
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 110348178
(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
CID 135054054
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
CID 51565179
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 56523305
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide (CID 110351772) is N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide is CC(C)C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is DUKQRYVEIVBWMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13(2)12-15(19-25(22,23)17-8-5-11-24-17)18(21)20-10-9-14-6-3-4-7-16(14)20/h3-8,11,13,15,19H,9-10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide?
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 110351772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).