N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide

C18H19N3O3S2 — CID 113019944

IUPACN-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCC(C)Oc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13(2)24-16-8-5-14(6-9-16)20-17-10-7-15(12-19-17)21-26(22,23)18-4-3-11-25-18/h3-13,21H,1-2H3,(H,19,20)
InChIKeyFIHGISDXBNBGRR-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.47
Rot. Bonds7

About N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113019944) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113019944
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCC(C)Oc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13(2)24-16-8-5-14(6-9-16)20-17-10-7-15(12-19-17)21-26(22,23)18-4-3-11-25-18/h3-13,21H,1-2H3,(H,19,20)
InChIKeyFIHGISDXBNBGRR-UHFFFAOYSA-N
XLogP4.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020007
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113015165
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019023
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113019944) is N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide is CC(C)Oc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1.
What is the InChIKey of N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is FIHGISDXBNBGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13(2)24-16-8-5-14(6-9-16)20-17-10-7-15(12-19-17)21-26(22,23)18-4-3-11-25-18/h3-13,21H,1-2H3,(H,19,20).
What are the key properties of N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 389.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113019944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).