3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide

C21H21NO5S — CID 46665187

IUPAC3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21NO5S/c1-16-6-5-7-18(14-16)26-13-11-22-21(23)20-17(10-12-27-20)15-28(24,25)19-8-3-2-4-9-19/h2-10,12,14H,11,13,15H2,1H3,(H,22,23)
InChIKeyFAFBDPUDXRKCCO-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.37
Rot. Bonds8

About 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide (PubChem CID 46665187) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
PubChem CID46665187
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC Name3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
SMILESCc1cccc(OCCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H21NO5S/c1-16-6-5-7-18(14-16)26-13-11-22-21(23)20-17(10-12-27-20)15-28(24,25)19-8-3-2-4-9-19/h2-10,12,14H,11,13,15H2,1H3,(H,22,23)
InChIKeyFAFBDPUDXRKCCO-UHFFFAOYSA-N
XLogP3.37
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.37
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-(benzenesulfonylmethyl)-N-butylfuran-2-carboxamide
CID 36711218
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-[[2-(3-methylphenoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103243428
3-(benzenesulfonylmethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]furan-2-carboxamide
CID 126788090
3-(benzenesulfonylmethyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51283662
3-(benzenesulfonylmethyl)-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
CID 43054440
3-(benzenesulfonylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 33114149
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide
CID 86898374
3-(benzenesulfonylmethyl)-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 51283733

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide (CID 46665187) is 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide is Cc1cccc(OCCNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is FAFBDPUDXRKCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-16-6-5-7-18(14-16)26-13-11-22-21(23)20-17(10-12-27-20)15-28(24,25)19-8-3-2-4-9-19/h2-10,12,14H,11,13,15H2,1H3,(H,22,23).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 46665187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).