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'}

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Related Compounds

5-[(4-methylphenyl)methylsulfinylmethyl]-N-propylfuran-2-carboxamide
CID 20899328
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
5-[(2-chlorophenyl)methylsulfinylmethyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 20899418
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-5-[[(S)-(4-methylphenyl)methylsulfinyl]methyl]furan-2-carboxamide
CID 99843514
5-(2-aminophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687714
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19463380
[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 46274516
5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 92687538

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).