N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide

C22H26N2O3S2 — CID 71257730

IUPACN-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCCCN(CC(C)c1ccc(O)c(C)c1)S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C22H26N2O3S2/c1-4-13-24(15-17(3)18-8-9-20(25)16(2)14-18)29(26,27)22-11-10-21(28-22)19-7-5-6-12-23-19/h5-12,14,17,25H,4,13,15H2,1-3H3
InChIKeyBYVOGXHSCCMWAW-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.03
Rot. Bonds8

About N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide

N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 71257730) has the molecular formula C22H26N2O3S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID71257730
Molecular FormulaC22H26N2O3S2
Molecular Weight430.60 g/mol
Exact Mass430.14
IUPAC NameN-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCCCN(CC(C)c1ccc(O)c(C)c1)S(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C22H26N2O3S2/c1-4-13-24(15-17(3)18-8-9-20(25)16(2)14-18)29(26,27)22-11-10-21(28-22)19-7-5-6-12-23-19/h5-12,14,17,25H,4,13,15H2,1-3H3
InChIKeyBYVOGXHSCCMWAW-UHFFFAOYSA-N
XLogP5.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide (CID 71257730) is N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide is CCCN(CC(C)c1ccc(O)c(C)c1)S(=O)(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is BYVOGXHSCCMWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S2/c1-4-13-24(15-17(3)18-8-9-20(25)16(2)14-18)29(26,27)22-11-10-21(28-22)19-7-5-6-12-23-19/h5-12,14,17,25H,4,13,15H2,1-3H3.
What are the key properties of N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 430.60 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-3-methylphenyl)propyl]-N-propyl-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 71257730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).