N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide

C15H18N2O2S2 — CID 105357708

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c(C)s1
InChIInChI=1S/C15H18N2O2S2/c1-10-5-15(11(2)20-10)21(18,19)17-7-12-3-4-13-8-16-9-14(13)6-12/h3-6,16-17H,7-9H2,1-2H3
InChIKeyLTKDJNNANYXPQR-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.45
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 105357708) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID105357708
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c(C)s1
InChIInChI=1S/C15H18N2O2S2/c1-10-5-15(11(2)20-10)21(18,19)17-7-12-3-4-13-8-16-9-14(13)6-12/h3-6,16-17H,7-9H2,1-2H3
InChIKeyLTKDJNNANYXPQR-UHFFFAOYSA-N
XLogP2.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide (CID 105357708) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCc2ccc3c(c2)CNC3)c(C)s1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is LTKDJNNANYXPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-10-5-15(11(2)20-10)21(18,19)17-7-12-3-4-13-8-16-9-14(13)6-12/h3-6,16-17H,7-9H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 105357708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).