4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide

C14H17N3O3S2 — CID 648487

IUPAC4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H17N3O3S2/c1-3-17(4-2)22(19,20)11-9-12(21-10-11)14(18)16-13-7-5-6-8-15-13/h5-10H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyGNRSVHWWUDATPP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.43
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide

4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 648487) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide
PubChem CID648487
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C14H17N3O3S2/c1-3-17(4-2)22(19,20)11-9-12(21-10-11)14(18)16-13-7-5-6-8-15-13/h5-10H,3-4H2,1-2H3,(H,15,16,18)
InChIKeyGNRSVHWWUDATPP-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide (CID 648487) is 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide is CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is GNRSVHWWUDATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-3-17(4-2)22(19,20)11-9-12(21-10-11)14(18)16-13-7-5-6-8-15-13/h5-10H,3-4H2,1-2H3,(H,15,16,18).
What are the key properties of 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide?
4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 648487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).