4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide

C23H34N6O4S — CID 123414703

IUPAC4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1ccc(CCc2nc(N3CCOCC3)cc(N3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1
InChIInChI=1S/C23H34N6O4S/c1-26(2)34(30,31)29-12-10-27(11-13-29)22-18-23(28-14-16-33-17-15-28)25-21(24-22)9-6-19-4-7-20(32-3)8-5-19/h4-5,7-8,18H,6,9-17H2,1-3H3
InChIKeyJRSWCIWYKUJMOO-UHFFFAOYSA-N
MW490.63 g/mol
LogP1.04
Rot. Bonds8

About 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 123414703) has the molecular formula C23H34N6O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID123414703
Molecular FormulaC23H34N6O4S
Molecular Weight490.63 g/mol
Exact Mass490.24
IUPAC Name4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCOc1ccc(CCc2nc(N3CCOCC3)cc(N3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1
InChIInChI=1S/C23H34N6O4S/c1-26(2)34(30,31)29-12-10-27(11-13-29)22-18-23(28-14-16-33-17-15-28)25-21(24-22)9-6-19-4-7-20(32-3)8-5-19/h4-5,7-8,18H,6,9-17H2,1-3H3
InChIKeyJRSWCIWYKUJMOO-UHFFFAOYSA-N
XLogP1.04
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-sulfonamide
CID 50947311
2-[2-(4-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-yl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 90392023
4-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 27477893
3-amino-1-[4-[5-amino-2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 163977396
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
CID 154902331
2,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319263
4-(dimethylsulfamoyl)-N-[(6-methoxynaphthalen-2-yl)methyl]piperazine-1-carboxamide
CID 33387816
1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 107355689
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 122161796

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 123414703) is 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide is COc1ccc(CCc2nc(N3CCOCC3)cc(N3CCN(S(=O)(=O)N(C)C)CC3)n2)cc1.
What is the InChIKey of 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is JRSWCIWYKUJMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4S/c1-26(2)34(30,31)29-12-10-27(11-13-29)22-18-23(28-14-16-33-17-15-28)25-21(24-22)9-6-19-4-7-20(32-3)8-5-19/h4-5,7-8,18H,6,9-17H2,1-3H3.
What are the key properties of 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 490.63 g/mol, XLogP of 1.04, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 123414703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).