N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide

C20H19NO4S — CID 20859579

IUPACN-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C20H19NO4S/c1-15-7-10-18(11-8-15)26(23,24)14-17-9-12-19(25-17)20(22)21-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyWIMKCUBZSUZHGN-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.49
Rot. Bonds6

About N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide

N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859579) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID20859579
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC NameN-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C20H19NO4S/c1-15-7-10-18(11-8-15)26(23,24)14-17-9-12-19(25-17)20(22)21-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyWIMKCUBZSUZHGN-UHFFFAOYSA-N
XLogP3.49
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551
5-(benzenesulfonylmethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]furan-2-carboxamide
CID 24509023
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
5-(benzenesulfonylmethyl)-N-[(5-ethylthiophen-2-yl)methyl]furan-2-carboxamide
CID 46466507
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
5-(benzenesulfonylmethyl)-N-[(4-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 46468496
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55660876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide (CID 20859579) is N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccc3)o2)cc1.
What is the InChIKey of N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is WIMKCUBZSUZHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-15-7-10-18(11-8-15)26(23,24)14-17-9-12-19(25-17)20(22)21-13-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).