N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide

C17H22N4O4S — CID 53329856

IUPACN-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide
SMILESCCOc1cnc(-c2cccc(NS(C)(=O)=O)c2)nc1N1CCOCC1
InChIInChI=1S/C17H22N4O4S/c1-3-25-15-12-18-16(19-17(15)21-7-9-24-10-8-21)13-5-4-6-14(11-13)20-26(2,22)23/h4-6,11-12,20H,3,7-10H2,1-2H3
InChIKeyXWEHIXOXRNXFFK-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.75
Rot. Bonds6

About N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide

N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide (PubChem CID 53329856) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide
PubChem CID53329856
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide
SMILESCCOc1cnc(-c2cccc(NS(C)(=O)=O)c2)nc1N1CCOCC1
InChIInChI=1S/C17H22N4O4S/c1-3-25-15-12-18-16(19-17(15)21-7-9-24-10-8-21)13-5-4-6-14(11-13)20-26(2,22)23/h4-6,11-12,20H,3,7-10H2,1-2H3
InChIKeyXWEHIXOXRNXFFK-UHFFFAOYSA-N
XLogP1.75
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-2,4-difluorobenzenesulfonamide
CID 53330380
N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
CID 66630757
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
N-[3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 59244894
N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 53318702
N-[3-[4-deuterio-5-methyl-2-(4-morpholin-4-ylanilino)pyrrolo[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 175768601
N-[3-[2-(4-methoxy-3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanesulfonamide
CID 66711059
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179
N-[3-[(4-morpholin-4-ylanilino)methyl]phenyl]methanesulfonamide
CID 171675302
4-[2-[5-methoxy-2-(3-methylphenyl)pyrimidin-4-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 168922588
N-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide
CID 86673496

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide (CID 53329856) is N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide is CCOc1cnc(-c2cccc(NS(C)(=O)=O)c2)nc1N1CCOCC1.
What is the InChIKey of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
The InChIKey is XWEHIXOXRNXFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-3-25-15-12-18-16(19-17(15)21-7-9-24-10-8-21)13-5-4-6-14(11-13)20-26(2,22)23/h4-6,11-12,20H,3,7-10H2,1-2H3.
What are the key properties of N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide?
N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 53329856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).