N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide

C21H26N2O2S — CID 31645758

IUPACN-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
SMILESCSCc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-22(21(24)18-9-7-17(8-10-18)16-26-2)15-19-5-3-4-6-20(19)23-11-13-25-14-12-23/h3-10H,11-16H2,1-2H3
InChIKeyLVCSTVZRYWWQPG-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.66
Rot. Bonds6

About N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide

N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 31645758) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID31645758
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
SMILESCSCc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-22(21(24)18-9-7-17(8-10-18)16-26-2)15-19-5-3-4-6-20(19)23-11-13-25-14-12-23/h3-10H,11-16H2,1-2H3
InChIKeyLVCSTVZRYWWQPG-UHFFFAOYSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17398985
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 55416200
1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55788714

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide (CID 31645758) is N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide is CSCc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is LVCSTVZRYWWQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-22(21(24)18-9-7-17(8-10-18)16-26-2)15-19-5-3-4-6-20(19)23-11-13-25-14-12-23/h3-10H,11-16H2,1-2H3.
What are the key properties of N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide?
N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 370.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 31645758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).