N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide

C21H19N3O2S3 — CID 25013557

IUPACN-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)cs2)ccn1
InChIInChI=1S/C21H19N3O2S3/c1-2-4-18-13-16(10-11-22-18)21-23-19(14-28-21)15-6-8-17(9-7-15)24-29(25,26)20-5-3-12-27-20/h3,5-14,24H,2,4H2,1H3
InChIKeyZCGDBTRLAJNWHJ-UHFFFAOYSA-N
MW441.60 g/mol
LogP5.69
Rot. Bonds7

About N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide

N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 25013557) has the molecular formula C21H19N3O2S3 and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
PubChem CID25013557
Molecular FormulaC21H19N3O2S3
Molecular Weight441.60 g/mol
Exact Mass441.06
IUPAC NameN-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)cs2)ccn1
InChIInChI=1S/C21H19N3O2S3/c1-2-4-18-13-16(10-11-22-18)21-23-19(14-28-21)15-6-8-17(9-7-15)24-29(25,26)20-5-3-12-27-20/h3,5-14,24H,2,4H2,1H3
InChIKeyZCGDBTRLAJNWHJ-UHFFFAOYSA-N
XLogP5.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide (CID 25013557) is N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide is CCCc1cc(-c2nc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)cs2)ccn1.
What is the InChIKey of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is ZCGDBTRLAJNWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S3/c1-2-4-18-13-16(10-11-22-18)21-23-19(14-28-21)15-6-8-17(9-7-15)24-29(25,26)20-5-3-12-27-20/h3,5-14,24H,2,4H2,1H3.
What are the key properties of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide?
N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 441.60 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 25013557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).