3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide

C23H26N2O5S — CID 86898374

IUPAC3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O5S/c1-25(2)14-6-15-29-20-11-9-19(10-12-20)24-23(26)22-18(13-16-30-22)17-31(27,28)21-7-4-3-5-8-21/h3-5,7-13,16H,6,14-15,17H2,1-2H3,(H,24,26)
InChIKeySONNJWFDTGSSMW-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.84
Rot. Bonds10

About 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide (PubChem CID 86898374) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide
PubChem CID86898374
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide
SMILESCN(C)CCCOc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H26N2O5S/c1-25(2)14-6-15-29-20-11-9-19(10-12-20)24-23(26)22-18(13-16-30-22)17-31(27,28)21-7-4-3-5-8-21/h3-5,7-13,16H,6,14-15,17H2,1-2H3,(H,24,26)
InChIKeySONNJWFDTGSSMW-UHFFFAOYSA-N
XLogP3.84
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
methyl 3-[2-[3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]phenyl]ethynyl]benzoate
CID 38087980
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
CID 55711975
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 86923783
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 46665187
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]furan-2-carbohydrazide
CID 46665405
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
3-(benzenesulfonylmethyl)-N'-[2-(2-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 55466162
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide (CID 86898374) is 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide is CN(C)CCCOc1ccc(NC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide?
The InChIKey is SONNJWFDTGSSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-25(2)14-6-15-29-20-11-9-19(10-12-20)24-23(26)22-18(13-16-30-22)17-31(27,28)21-7-4-3-5-8-21/h3-5,7-13,16H,6,14-15,17H2,1-2H3,(H,24,26).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86898374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).