5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide

C19H21N5O2S2 — CID 171910515

IUPAC5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCN(c4cnccn4)CC3)s2)ccn1
InChIInChI=1S/C19H21N5O2S2/c1-14-12-15(4-7-21-14)17-2-3-19(27-17)28(25,26)23-16-5-10-24(11-6-16)18-13-20-8-9-22-18/h2-4,7-9,12-13,16,23H,5-6,10-11H2,1H3
InChIKeyPAAMEEJZEHOIIA-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.86
Rot. Bonds5

About 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide

5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide (PubChem CID 171910515) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide
PubChem CID171910515
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NC3CCN(c4cnccn4)CC3)s2)ccn1
InChIInChI=1S/C19H21N5O2S2/c1-14-12-15(4-7-21-14)17-2-3-19(27-17)28(25,26)23-16-5-10-24(11-6-16)18-13-20-8-9-22-18/h2-4,7-9,12-13,16,23H,5-6,10-11H2,1H3
InChIKeyPAAMEEJZEHOIIA-UHFFFAOYSA-N
XLogP2.86
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide (CID 171910515) is 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NC3CCN(c4cnccn4)CC3)s2)ccn1.
What is the InChIKey of 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide?
The InChIKey is PAAMEEJZEHOIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c1-14-12-15(4-7-21-14)17-2-3-19(27-17)28(25,26)23-16-5-10-24(11-6-16)18-13-20-8-9-22-18/h2-4,7-9,12-13,16,23H,5-6,10-11H2,1H3.
What are the key properties of 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide?
5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide has a molecular weight of 415.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-pyridinyl)-N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 171910515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).