N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide

C20H21NO3S — CID 2563703

IUPACN-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C20H21NO3S/c1-16-10-11-17(2)20(13-16)25(22,23)21(15-19-9-6-12-24-19)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3
InChIKeyUFVSOQAYOLMNKU-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.29
Rot. Bonds6

About N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide

N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 2563703) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
PubChem CID2563703
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)c1
InChIInChI=1S/C20H21NO3S/c1-16-10-11-17(2)20(13-16)25(22,23)21(15-19-9-6-12-24-19)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3
InChIKeyUFVSOQAYOLMNKU-UHFFFAOYSA-N
XLogP4.29
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-[3-[bis(furan-2-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 55365023
N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 167880591
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
N,N-dibenzyl-2-methyl-5-nitrobenzenesulfonamide
CID 2900051
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 100781833
N,N-dibenzyl-4-chloro-2,5-dimethylbenzenesulfonamide
CID 3844822
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
N-(furan-2-ylmethyl)-2-methoxy-4,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906814
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1168700

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide (CID 2563703) is N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)c1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is UFVSOQAYOLMNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-16-10-11-17(2)20(13-16)25(22,23)21(15-19-9-6-12-24-19)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide?
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2563703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).