N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide

C20H22N2O3S — CID 141060649

IUPACN-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide
SMILESCCC(c1ccc(C)o1)N(c1ccc(C)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C20H22N2O3S/c1-4-18(19-13-10-16(3)25-19)22(17-11-8-15(2)9-12-17)26(23,24)20-7-5-6-14-21-20/h5-14,18H,4H2,1-3H3
InChIKeyVHFMSHNTMKAFIS-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.64
Rot. Bonds6

About N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide

N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide (PubChem CID 141060649) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide
PubChem CID141060649
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide
SMILESCCC(c1ccc(C)o1)N(c1ccc(C)cc1)S(=O)(=O)c1ccccn1
InChIInChI=1S/C20H22N2O3S/c1-4-18(19-13-10-16(3)25-19)22(17-11-8-15(2)9-12-17)26(23,24)20-7-5-6-14-21-20/h5-14,18H,4H2,1-3H3
InChIKeyVHFMSHNTMKAFIS-UHFFFAOYSA-N
XLogP4.64
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide (CID 141060649) is N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide is CCC(c1ccc(C)o1)N(c1ccc(C)cc1)S(=O)(=O)c1ccccn1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide?
The InChIKey is VHFMSHNTMKAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-18(19-13-10-16(3)25-19)22(17-11-8-15(2)9-12-17)26(23,24)20-7-5-6-14-21-20/h5-14,18H,4H2,1-3H3.
What are the key properties of N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide?
N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)propyl]-N-(4-methylphenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 141060649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).