N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

C19H20N2O5S — CID 119618457

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESNc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)CCC3)OCO2
InChIInChI=1S/C19H20N2O5S/c20-15-9-17-18(26-11-25-17)10-16(15)21-19(22)6-7-27(23,24)14-5-4-12-2-1-3-13(12)8-14/h4-5,8-10H,1-3,6-7,11,20H2,(H,21,22)
InChIKeyCSWARXSIGGCXSE-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.29
Rot. Bonds5

About N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide

N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (PubChem CID 119618457) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
PubChem CID119618457
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
SMILESNc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)CCC3)OCO2
InChIInChI=1S/C19H20N2O5S/c20-15-9-17-18(26-11-25-17)10-16(15)21-19(22)6-7-27(23,24)14-5-4-12-2-1-3-13(12)8-14/h4-5,8-10H,1-3,6-7,11,20H2,(H,21,22)
InChIKeyCSWARXSIGGCXSE-UHFFFAOYSA-N
XLogP2.29
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-3-pyridinyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119515659
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 52723374
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 55685821
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide
CID 60553577
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(4-fluorophenyl)propanehydrazide
CID 71938729
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119602669
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,4-dimethylphenyl)propanamide
CID 119618103

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide (CID 119618457) is N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is Nc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc3c(c1)CCC3)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
The InChIKey is CSWARXSIGGCXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c20-15-9-17-18(26-11-25-17)10-16(15)21-19(22)6-7-27(23,24)14-5-4-12-2-1-3-13(12)8-14/h4-5,8-10H,1-3,6-7,11,20H2,(H,21,22).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide?
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide has a molecular weight of 388.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide is sourced from PubChem (CID 119618457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).