N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide

C21H24N2O3S — CID 59231425

IUPACN-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNc2cccc(-c3ccco3)c2)cc1
InChIInChI=1S/C21H24N2O3S/c1-21(2,3)27(24,25)23-18-11-9-16(10-12-18)15-22-19-7-4-6-17(14-19)20-8-5-13-26-20/h4-14,22-23H,15H2,1-3H3
InChIKeyRLESDXUEJMZGMV-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.10
Rot. Bonds6

About N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide

N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 59231425) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
PubChem CID59231425
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc(CNc2cccc(-c3ccco3)c2)cc1
InChIInChI=1S/C21H24N2O3S/c1-21(2,3)27(24,25)23-18-11-9-16(10-12-18)15-22-19-7-4-6-17(14-19)20-8-5-13-26-20/h4-14,22-23H,15H2,1-3H3
InChIKeyRLESDXUEJMZGMV-UHFFFAOYSA-N
XLogP5.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide (CID 59231425) is N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc(CNc2cccc(-c3ccco3)c2)cc1.
What is the InChIKey of N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is RLESDXUEJMZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-21(2,3)27(24,25)23-18-11-9-16(10-12-18)15-22-19-7-4-6-17(14-19)20-8-5-13-26-20/h4-14,22-23H,15H2,1-3H3.
What are the key properties of N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide?
N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(furan-2-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 59231425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).