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

C18H24N2O5S — CID 3239172

IUPAC3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C18H24N2O5S/c1-14-6-8-15(9-7-14)26(22,23)20-16(17-5-3-12-25-17)13-18(21)19-10-4-11-24-2/h3,5-9,12,16,20H,4,10-11,13H2,1-2H3,(H,19,21)
InChIKeyWRCIUWKMYPDWHH-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.15
Rot. Bonds10

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

3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 3239172) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID3239172
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCOCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
InChIInChI=1S/C18H24N2O5S/c1-14-6-8-15(9-7-14)26(22,23)20-16(17-5-3-12-25-17)13-18(21)19-10-4-11-24-2/h3,5-9,12,16,20H,4,10-11,13H2,1-2H3,(H,19,21)
InChIKeyWRCIUWKMYPDWHH-UHFFFAOYSA-N
XLogP2.15
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 3239172) is 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is WRCIUWKMYPDWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-14-6-8-15(9-7-14)26(22,23)20-16(17-5-3-12-25-17)13-18(21)19-10-4-11-24-2/h3,5-9,12,16,20H,4,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
3-(furan-2-yl)-N-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 380.47 g/mol, XLogP of 2.15, 10 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-(3-methoxypropyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3239172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).