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

C18H23NO5S — CID 3240384

IUPACN-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1
InChIInChI=1S/C18H23NO5S/c1-14-5-3-6-15(11-14)12-25(21,22)13-16-7-8-17(24-16)18(20)19-9-4-10-23-2/h3,5-8,11H,4,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyQQIRXMOHCDMRAO-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.47
Rot. Bonds9

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

N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 3240384) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID3240384
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1
InChIInChI=1S/C18H23NO5S/c1-14-5-3-6-15(11-14)12-25(21,22)13-16-7-8-17(24-16)18(20)19-9-4-10-23-2/h3,5-8,11H,4,9-10,12-13H2,1-2H3,(H,19,20)
InChIKeyQQIRXMOHCDMRAO-UHFFFAOYSA-N
XLogP2.47
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
N-(sec-butyl)-5-{[(2-chlorobenzyl)thio]methyl}-2-furamide
CID 3553402
N-butyl-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide
CID 3583186
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
N-(sec-butyl)-5-{[(4-chlorobenzyl)thio]methyl}-2-furamide
CID 3616502
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389
N-(1,1-dioxidotetrahydro-3-thienyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 4497909
5-{[(2-chlorobenzyl)thio]methyl}-N-isopropyl-2-furamide
CID 4533619
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(3-methoxypropyl)benzamide
CID 6488404
N-butyl-5-{[(4-methylphenyl)sulfonyl]methyl}-2-furamide
CID 20859591
N-cyclopropyl-5-[(4-methoxyphenyl)sulfinylmethyl]-2-furamide
CID 22554748

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 3240384) is N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is COCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1.
What is the InChIKey of N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is QQIRXMOHCDMRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-14-5-3-6-15(11-14)12-25(21,22)13-16-7-8-17(24-16)18(20)19-9-4-10-23-2/h3,5-8,11H,4,9-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[(3-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3240384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).