3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide

C19H20N2O3S2 — CID 91625872

IUPAC3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccccc1)NCc1cccnc1-c1cccs1
InChIInChI=1S/C19H20N2O3S2/c22-26(23,14-6-12-24-17-8-2-1-3-9-17)21-15-16-7-4-11-20-19(16)18-10-5-13-25-18/h1-5,7-11,13,21H,6,12,14-15H2
InChIKeyXCQVHAOETLCWKT-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.70
Rot. Bonds9

About 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide

3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide (PubChem CID 91625872) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
PubChem CID91625872
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCOc1ccccc1)NCc1cccnc1-c1cccs1
InChIInChI=1S/C19H20N2O3S2/c22-26(23,14-6-12-24-17-8-2-1-3-9-17)21-15-16-7-4-11-20-19(16)18-10-5-13-25-18/h1-5,7-11,13,21H,6,12,14-15H2
InChIKeyXCQVHAOETLCWKT-UHFFFAOYSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide
CID 91625886
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
(E)-2-phenyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
CID 121166367
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864
3-phenoxy-N-[(2-thiophen-3-ylphenyl)methyl]propane-1-sulfonamide
CID 90597161
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
2,4,6-trimethyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166387
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
1-methyl-2-propan-2-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazole-4-sulfonamide
CID 91625884
2-phenyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121177892
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide (CID 91625872) is 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide is O=S(=O)(CCCOc1ccccc1)NCc1cccnc1-c1cccs1.
What is the InChIKey of 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
The InChIKey is XCQVHAOETLCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c22-26(23,14-6-12-24-17-8-2-1-3-9-17)21-15-16-7-4-11-20-19(16)18-10-5-13-25-18/h1-5,7-11,13,21H,6,12,14-15H2.
What are the key properties of 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide?
3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide has a molecular weight of 388.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 91625872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).