N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide

C14H14N2O2S2 — CID 2813022

IUPACN-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide
SMILESN#CCCN(Cc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O2S2/c15-9-5-10-16(12-13-6-2-1-3-7-13)20(17,18)14-8-4-11-19-14/h1-4,6-8,11H,5,10,12H2
InChIKeyAGOUURSYTSEYKJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide

N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide (PubChem CID 2813022) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide
PubChem CID2813022
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide
SMILESN#CCCN(Cc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O2S2/c15-9-5-10-16(12-13-6-2-1-3-7-13)20(17,18)14-8-4-11-19-14/h1-4,6-8,11H,5,10,12H2
InChIKeyAGOUURSYTSEYKJ-UHFFFAOYSA-N
XLogP2.85
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide (CID 2813022) is N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide is N#CCCN(Cc1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide?
The InChIKey is AGOUURSYTSEYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c15-9-5-10-16(12-13-6-2-1-3-7-13)20(17,18)14-8-4-11-19-14/h1-4,6-8,11H,5,10,12H2.
What are the key properties of N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide?
N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2813022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).