N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

C12H12N2O3S2 — CID 60510056

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H12N2O3S2/c13-6-3-7-14(10-11-4-1-8-17-11)19(15,16)12-5-2-9-18-12/h1-2,4-5,8-9H,3,7,10H2
InChIKeyWERBUCJYNVBEKB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds6

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 60510056) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID60510056
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H12N2O3S2/c13-6-3-7-14(10-11-4-1-8-17-11)19(15,16)12-5-2-9-18-12/h1-2,4-5,8-9H,3,7,10H2
InChIKeyWERBUCJYNVBEKB-UHFFFAOYSA-N
XLogP2.45
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide (CID 60510056) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is N#CCCN(Cc1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WERBUCJYNVBEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c13-6-3-7-14(10-11-4-1-8-17-11)19(15,16)12-5-2-9-18-12/h1-2,4-5,8-9H,3,7,10H2.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 296.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 60510056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).