1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine

C20H28N4O4S — CID 55346754

IUPAC1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)N(C)C
InChIInChI=1S/C20H28N4O4S/c1-23(2)18(17-6-4-5-7-19(17)27-3)15-22-20-9-8-16(14-21-20)29(25,26)24-10-12-28-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,21,22)
InChIKeySEQYQGKRYYYSMR-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.83
Rot. Bonds8

About 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine

1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 55346754) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID55346754
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccccc1C(CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)N(C)C
InChIInChI=1S/C20H28N4O4S/c1-23(2)18(17-6-4-5-7-19(17)27-3)15-22-20-9-8-16(14-21-20)29(25,26)24-10-12-28-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,21,22)
InChIKeySEQYQGKRYYYSMR-UHFFFAOYSA-N
XLogP1.83
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55337584
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55829731
N-[2-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281322
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17448641
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
2-N,2-N-dimethyl-1-N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 55346850
N,N-dimethyl-3-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]pyridin-2-amine
CID 55827227
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
CID 133380160

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine (CID 55346754) is 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine is COc1ccccc1C(CNc1ccc(S(=O)(=O)N2CCOCC2)cn1)N(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is SEQYQGKRYYYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-23(2)18(17-6-4-5-7-19(17)27-3)15-22-20-9-8-16(14-21-20)29(25,26)24-10-12-28-13-11-24/h4-9,14,18H,10-13,15H2,1-3H3,(H,21,22).
What are the key properties of 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 420.54 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 55346754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).