3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C17H22N2O5S — CID 3235782

IUPAC3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C17H22N2O5S/c1-13-5-7-14(8-6-13)25(21,22)19-15(16-4-3-10-24-16)12-17(20)18-9-11-23-2/h3-8,10,15,19H,9,11-12H2,1-2H3,(H,18,20)
InChIKeyORMXZERYCGCFMJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.76
Rot. Bonds9

About 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 3235782) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID3235782
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C17H22N2O5S/c1-13-5-7-14(8-6-13)25(21,22)19-15(16-4-3-10-24-16)12-17(20)18-9-11-23-2/h3-8,10,15,19H,9,11-12H2,1-2H3,(H,18,20)
InChIKeyORMXZERYCGCFMJ-UHFFFAOYSA-N
XLogP1.76
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
3-(2-Furyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
CID 3238958
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
CID 3239602
N'-[(1S,2R)-1-benzyl-3-[2-furylsulfonyl-[(2R)-2-hydroxypropyl]amino]-2-hydroxy-propyl]-N-methyl-butanediamide
CID 15947914
4-[(Furan-2-ylmethyl)-sulfamoyl]-N-(2-methyl-cyclohexyl)-benzamide
CID 645121
3-Dimethylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 652389
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 655047

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 3235782) is 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is ORMXZERYCGCFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-13-5-7-14(8-6-13)25(21,22)19-15(16-4-3-10-24-16)12-17(20)18-9-11-23-2/h3-8,10,15,19H,9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 366.44 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-methoxyethyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3235782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).