2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide

C14H20N2O3S — CID 96551201

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)C[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H20N2O3S/c15-20(18,19)9-3-8-16-14(17)10-12-7-6-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H2,15,18,19)/t12-/m0/s1
InChIKeyOPWUHSGHCUMIQK-LBPRGKRZSA-N
MW296.39 g/mol
LogP0.90
Rot. Bonds6

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide (PubChem CID 96551201) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
PubChem CID96551201
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
SMILESNS(=O)(=O)CCCNC(=O)C[C@@H]1CCc2ccccc21
InChIInChI=1S/C14H20N2O3S/c15-20(18,19)9-3-8-16-14(17)10-12-7-6-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H2,15,18,19)/t12-/m0/s1
InChIKeyOPWUHSGHCUMIQK-LBPRGKRZSA-N
XLogP0.90
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
CID 50984766
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
(1S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94188090
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide
CID 86955855
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide
CID 86957312
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 72890558
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide (CID 96551201) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide is NS(=O)(=O)CCCNC(=O)C[C@@H]1CCc2ccccc21.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide?
The InChIKey is OPWUHSGHCUMIQK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3S/c15-20(18,19)9-3-8-16-14(17)10-12-7-6-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-10H2,(H,16,17)(H2,15,18,19)/t12-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide is sourced from PubChem (CID 96551201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).