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

C15H18N4O3S2 — CID 6503958

IUPACN-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C15H18N4O3S2/c1-16-15(20)13-10-12(11-23-13)24(21,22)19-8-6-18(7-9-19)14-4-2-3-5-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,20)
InChIKeyLREZKCRJKFUVIP-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.01
Rot. Bonds4

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

N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6503958) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6503958
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C15H18N4O3S2/c1-16-15(20)13-10-12(11-23-13)24(21,22)19-8-6-18(7-9-19)14-4-2-3-5-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,20)
InChIKeyLREZKCRJKFUVIP-UHFFFAOYSA-N
XLogP1.01
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (CID 6503958) is N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cs1.
What is the InChIKey of N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is LREZKCRJKFUVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-16-15(20)13-10-12(11-23-13)24(21,22)19-8-6-18(7-9-19)14-4-2-3-5-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,20).
What are the key properties of N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).