N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

C16H20N4O3S2 — CID 6504028

IUPACN-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H20N4O3S2/c1-2-17-16(21)14-11-13(12-24-14)25(22,23)20-9-7-19(8-10-20)15-5-3-4-6-18-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,21)
InChIKeyURWGDCYJSIDROX-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.40
Rot. Bonds5

About N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6504028) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6504028
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H20N4O3S2/c1-2-17-16(21)14-11-13(12-24-14)25(22,23)20-9-7-19(8-10-20)15-5-3-4-6-18-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,21)
InChIKeyURWGDCYJSIDROX-UHFFFAOYSA-N
XLogP1.40
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (CID 6504028) is N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is CCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1.
What is the InChIKey of N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is URWGDCYJSIDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-2-17-16(21)14-11-13(12-24-14)25(22,23)20-9-7-19(8-10-20)15-5-3-4-6-18-15/h3-6,11-12H,2,7-10H2,1H3,(H,17,21).
What are the key properties of N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6504028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).