2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide

C17H22N2O3S — CID 75400891

IUPAC2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide
SMILESCCCN1Cc2cccc(NS(=O)(=O)c3cc(C)oc3C)c2C1
InChIInChI=1S/C17H22N2O3S/c1-4-8-19-10-14-6-5-7-16(15(14)11-19)18-23(20,21)17-9-12(2)22-13(17)3/h5-7,9,18H,4,8,10-11H2,1-3H3
InChIKeyPCXFMPADCXAACW-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.42
Rot. Bonds5

About 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide

2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide (PubChem CID 75400891) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide
PubChem CID75400891
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide
SMILESCCCN1Cc2cccc(NS(=O)(=O)c3cc(C)oc3C)c2C1
InChIInChI=1S/C17H22N2O3S/c1-4-8-19-10-14-6-5-7-16(15(14)11-19)18-23(20,21)17-9-12(2)22-13(17)3/h5-7,9,18H,4,8,10-11H2,1-3H3
InChIKeyPCXFMPADCXAACW-UHFFFAOYSA-N
XLogP3.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butyl-1,3-dihydroisoindol-4-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 154747510
5-bromo-N-[2-(3-methoxypropyl)-1,3-dihydroisoindol-4-yl]-4-methylthiophene-2-sulfonamide
CID 75456329
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119109727
5-amino-2-methyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)benzamide;dihydrochloride
CID 120645756
5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
2-chloro-N-(2-methyl-1,3-dihydroisoindol-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 100614355
2-(4-aminophenyl)-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 119869989
N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 107522507
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167889310
N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide
CID 154745151
2-methoxy-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]ethanesulfonamide
CID 84597830

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide (CID 75400891) is 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide is CCCN1Cc2cccc(NS(=O)(=O)c3cc(C)oc3C)c2C1.
What is the InChIKey of 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide?
The InChIKey is PCXFMPADCXAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-8-19-10-14-6-5-7-16(15(14)11-19)18-23(20,21)17-9-12(2)22-13(17)3/h5-7,9,18H,4,8,10-11H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide?
2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-propyl-1,3-dihydroisoindol-4-yl)furan-3-sulfonamide is sourced from PubChem (CID 75400891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).