4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide

C18H19NO4S2 — CID 122264427

IUPAC4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H19NO4S2/c1-2-11-22-14-5-8-16(9-6-14)25(20,21)19-13-15-7-10-17(23-15)18-4-3-12-24-18/h3-10,12,19H,2,11,13H2,1H3
InChIKeyQPYVWMDVPCQEKE-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.28
Rot. Bonds8

About 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide

4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 122264427) has the molecular formula C18H19NO4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID122264427
Molecular FormulaC18H19NO4S2
Molecular Weight377.49 g/mol
Exact Mass377.08
IUPAC Name4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H19NO4S2/c1-2-11-22-14-5-8-16(9-6-14)25(20,21)19-13-15-7-10-17(23-15)18-4-3-12-24-18/h3-10,12,19H,2,11,13H2,1H3
InChIKeyQPYVWMDVPCQEKE-UHFFFAOYSA-N
XLogP4.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122264443
4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264401
2-methoxy-5-[(5-thiophen-2-ylfuran-2-yl)methylsulfamoyl]benzamide
CID 122264461
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264394
1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264565
4-ethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322547
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
CID 90497139
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
4-bromo-3-propoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267851
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide (CID 122264427) is 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is QPYVWMDVPCQEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S2/c1-2-11-22-14-5-8-16(9-6-14)25(20,21)19-13-15-7-10-17(23-15)18-4-3-12-24-18/h3-10,12,19H,2,11,13H2,1H3.
What are the key properties of 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide?
4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122264427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).