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

C19H19NO5S — CID 3242263

IUPACN-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccco2)o1
InChIInChI=1S/C19H19NO5S/c1-14-5-2-3-6-15(14)12-26(22,23)13-17-8-9-18(25-17)19(21)20-11-16-7-4-10-24-16/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyALVHKHRIFNKTMS-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.23
Rot. Bonds7

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

N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (PubChem CID 3242263) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
PubChem CID3242263
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC NameN-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide
SMILESCc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccco2)o1
InChIInChI=1S/C19H19NO5S/c1-14-5-2-3-6-15(14)12-26(22,23)13-17-8-9-18(25-17)19(21)20-11-16-7-4-10-24-16/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyALVHKHRIFNKTMS-UHFFFAOYSA-N
XLogP3.23
TPSA89.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
N-butyl-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide
CID 3583186
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
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
N-butyl-5-{[(4-methylphenyl)sulfonyl]methyl}-2-furamide
CID 20859591
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2908445
N-[2-(4-methoxyphenyl)ethyl]-5-[(phenylsulfanyl)methyl]furan-2-carboxamide
CID 2146644
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone
CID 6619504
N-[1-[2-(4-fluorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4877225
N,N'-[1,4-phenylenebis(methylene)]di(2-furamide)
CID 896456

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide (CID 3242263) is N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccco2)o1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
The InChIKey is ALVHKHRIFNKTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-14-5-2-3-6-15(14)12-26(22,23)13-17-8-9-18(25-17)19(21)20-11-16-7-4-10-24-16/h2-10H,11-13H2,1H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide?
N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[(2-methylphenyl)methylsulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3242263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).