N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide

C21H26N4O3S2 — CID 67819598

IUPACN-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCOc1cc(CNS(=O)(=O)c2cccs2)nc(-c2ccccn2)c1
InChIInChI=1S/C21H26N4O3S2/c1-3-25(4-2)11-12-28-18-14-17(16-23-30(26,27)21-9-7-13-29-21)24-20(15-18)19-8-5-6-10-22-19/h5-10,13-15,23H,3-4,11-12,16H2,1-2H3
InChIKeyJWQAHZDJFUKWQM-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.40
Rot. Bonds11

About N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide

N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 67819598) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID67819598
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCN(CC)CCOc1cc(CNS(=O)(=O)c2cccs2)nc(-c2ccccn2)c1
InChIInChI=1S/C21H26N4O3S2/c1-3-25(4-2)11-12-28-18-14-17(16-23-30(26,27)21-9-7-13-29-21)24-20(15-18)19-8-5-6-10-22-19/h5-10,13-15,23H,3-4,11-12,16H2,1-2H3
InChIKeyJWQAHZDJFUKWQM-UHFFFAOYSA-N
XLogP3.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]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

2-[[2-(aminomethyl)-6-pyridin-2-yl-4-pyridinyl]oxy]-N,N-diethylethanamine;N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]-5-methylthiophene-2-sulfonamide
CID 161474724
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
CID 67819520
2,6-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
CID 67819577
2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
CID 67819553
3-chloro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]propane-1-sulfonamide;(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanamine
CID 158578278
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 90569727
4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
5-pyridin-2-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 2738763
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317993

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide (CID 67819598) is N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide is CCN(CC)CCOc1cc(CNS(=O)(=O)c2cccs2)nc(-c2ccccn2)c1.
What is the InChIKey of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is JWQAHZDJFUKWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-3-25(4-2)11-12-28-18-14-17(16-23-30(26,27)21-9-7-13-29-21)24-20(15-18)19-8-5-6-10-22-19/h5-10,13-15,23H,3-4,11-12,16H2,1-2H3.
What are the key properties of N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide?
N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 446.60 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 67819598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).