2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

C21H24N2O5S — CID 1075656

IUPAC2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-26-19-13-17(29-2)7-8-18(19)21(25)22-15-3-5-16(6-4-15)28-14-20(24)23-9-11-27-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyLLJKTHNTQHUTAO-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.91
Rot. Bonds7

About 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (PubChem CID 1075656) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
PubChem CID1075656
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCOc1cc(SC)ccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-26-19-13-17(29-2)7-8-18(19)21(25)22-15-3-5-16(6-4-15)28-14-20(24)23-9-11-27-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyLLJKTHNTQHUTAO-UHFFFAOYSA-N
XLogP2.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Salverine
CID 65585
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2646003
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 802814
1-[2-Methoxy-4-(methylsulfanyl)benzoyl]-4-(2-methoxyphenyl)piperazine
CID 1147568
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
2-methoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 2996815
2-Fluoro-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 1130029
(2-Methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 669785

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The IUPAC name of 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (CID 1075656) is 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The canonical SMILES for 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is COc1cc(SC)ccc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The InChIKey is LLJKTHNTQHUTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-26-19-13-17(29-2)7-8-18(19)21(25)22-15-3-5-16(6-4-15)28-14-20(24)23-9-11-27-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide has a molecular weight of 416.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is sourced from PubChem (CID 1075656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).