N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide

C18H23NO4S — CID 20899338

IUPACN-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(CS(=O)Cc2ccc(C)cc2)o1
InChIInChI=1S/C18H23NO4S/c1-14-4-6-15(7-5-14)12-24(21)13-16-8-9-17(23-16)18(20)19-10-3-11-22-2/h4-9H,3,10-13H2,1-2H3,(H,19,20)
InChIKeyYJROQLSPBPKQGF-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.80
Rot. Bonds9

About N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide

N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide (PubChem CID 20899338) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
PubChem CID20899338
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(CS(=O)Cc2ccc(C)cc2)o1
InChIInChI=1S/C18H23NO4S/c1-14-4-6-15(7-5-14)12-24(21)13-16-8-9-17(23-16)18(20)19-10-3-11-22-2/h4-9H,3,10-13H2,1-2H3,(H,19,20)
InChIKeyYJROQLSPBPKQGF-UHFFFAOYSA-N
XLogP2.80
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]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-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide (CID 20899338) is N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide is COCCCNC(=O)c1ccc(CS(=O)Cc2ccc(C)cc2)o1.
What is the InChIKey of N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
The InChIKey is YJROQLSPBPKQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-14-4-6-15(7-5-14)12-24(21)13-16-8-9-17(23-16)18(20)19-10-3-11-22-2/h4-9H,3,10-13H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide?
N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20899338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).