N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide

C17H20N2O2S2 — CID 113085634

IUPACN-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c(C)n(C)c3ccccc23)s1
InChIInChI=1S/C17H20N2O2S2/c1-12-8-9-17(22-12)23(20,21)18-11-10-14-13(2)19(3)16-7-5-4-6-15(14)16/h4-9,18H,10-11H2,1-3H3
InChIKeyBPNNXCCZGIZGRB-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113085634) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID113085634
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2c(C)n(C)c3ccccc23)s1
InChIInChI=1S/C17H20N2O2S2/c1-12-8-9-17(22-12)23(20,21)18-11-10-14-13(2)19(3)16-7-5-4-6-15(14)16/h4-9,18H,10-11H2,1-3H3
InChIKeyBPNNXCCZGIZGRB-UHFFFAOYSA-N
XLogP3.38
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide (CID 113085634) is N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2c(C)n(C)c3ccccc23)s1.
What is the InChIKey of N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is BPNNXCCZGIZGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-12-8-9-17(22-12)23(20,21)18-11-10-14-13(2)19(3)16-7-5-4-6-15(14)16/h4-9,18H,10-11H2,1-3H3.
What are the key properties of N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 348.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethylindol-3-yl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113085634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).