N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide

C19H25NO5S — CID 3239109

IUPACN-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(C)cc2)o1
InChIInChI=1S/C19H25NO5S/c1-3-24-12-4-11-20-19(21)18-10-9-17(25-18)14-26(22,23)13-16-7-5-15(2)6-8-16/h5-10H,3-4,11-14H2,1-2H3,(H,20,21)
InChIKeyOJSNVHSZEBSHJP-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.86
Rot. Bonds10

About N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide

N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 3239109) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID3239109
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(C)cc2)o1
InChIInChI=1S/C19H25NO5S/c1-3-24-12-4-11-20-19(21)18-10-9-17(25-18)14-26(22,23)13-16-7-5-15(2)6-8-16/h5-10H,3-4,11-14H2,1-2H3,(H,20,21)
InChIKeyOJSNVHSZEBSHJP-UHFFFAOYSA-N
XLogP2.86
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 3239109) is N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is CCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccc(C)cc2)o1.
What is the InChIKey of N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is OJSNVHSZEBSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-3-24-12-4-11-20-19(21)18-10-9-17(25-18)14-26(22,23)13-16-7-5-15(2)6-8-16/h5-10H,3-4,11-14H2,1-2H3,(H,20,21).
What are the key properties of N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3239109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).