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

C39H52N8O4S2 — CID 161474724

IUPAC2-[[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
SMILESCCN(CC)CCOc1cc(CN)nc(-c2ccccn2)c1.CCN(CC)CCOc1cc(CNS(=O)(=O)c2ccc(C)s2)nc(-c2ccccn2)c1
InChIInChI=1S/C22H28N4O3S2.C17H24N4O/c1-4-26(5-2)12-13-29-19-14-18(25-21(15-19)20-8-6-7-11-23-20)16-24-31(27,28)22-10-9-17(3)30-22;1-3-21(4-2)9-10-22-15-11-14(13-18)20-17(12-15)16-7-5-6-8-19-16/h6-11,14-15,24H,4-5,12-13,16H2,1-3H3;5-8,11-12H,3-4,9-10,13,18H2,1-2H3
InChIKeyWDOGNQDJDVJYAH-UHFFFAOYSA-N
MW761.03 g/mol
LogP6.04
Rot. Bonds19

About 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

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 (PubChem CID 161474724) has the molecular formula C39H52N8O4S2 and a molecular weight of 761.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID161474724
Molecular FormulaC39H52N8O4S2
Molecular Weight761.03 g/mol
Exact Mass760.36
IUPAC Name2-[[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
SMILESCCN(CC)CCOc1cc(CN)nc(-c2ccccn2)c1.CCN(CC)CCOc1cc(CNS(=O)(=O)c2ccc(C)s2)nc(-c2ccccn2)c1
InChIInChI=1S/C22H28N4O3S2.C17H24N4O/c1-4-26(5-2)12-13-29-19-14-18(25-21(15-19)20-8-6-7-11-23-20)16-24-31(27,28)22-10-9-17(3)30-22;1-3-21(4-2)9-10-22-15-11-14(13-18)20-17(12-15)16-7-5-6-8-19-16/h6-11,14-15,24H,4-5,12-13,16H2,1-3H3;5-8,11-12H,3-4,9-10,13,18H2,1-2H3
InChIKeyWDOGNQDJDVJYAH-UHFFFAOYSA-N
XLogP6.04
TPSA148.69 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-[2-(diethylamino)ethoxy]-6-pyridin-2-yl-2-pyridinyl]methyl]thiophene-2-sulfonamide
CID 67819598
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-benzothiophene-2-sulfonamide
CID 67819520
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
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
5-methyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 121117828
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 78889870
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30365965
5-pyridin-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 58087312
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 90555814
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)CCOc1cc(CN)nc(-c2ccccn2)c1.CCN(CC)CCOc1cc(CNS(=O)(=O)c2ccc(C)s2)nc(-c2ccccn2)c1.
What is the InChIKey of 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?
The InChIKey is WDOGNQDJDVJYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S2.C17H24N4O/c1-4-26(5-2)12-13-29-19-14-18(25-21(15-19)20-8-6-7-11-23-20)16-24-31(27,28)22-10-9-17(3)30-22;1-3-21(4-2)9-10-22-15-11-14(13-18)20-17(12-15)16-7-5-6-8-19-16/h6-11,14-15,24H,4-5,12-13,16H2,1-3H3;5-8,11-12H,3-4,9-10,13,18H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 761.03 g/mol, XLogP of 6.04, 19 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161474724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).