3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide

C20H24N2O4S — CID 17409313

IUPAC3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-16-5-4-8-17(13-16)20(23)21-14-18-6-2-3-7-19(18)15-27(24,25)22-9-11-26-12-10-22/h2-8,13H,9-12,14-15H2,1H3,(H,21,23)
InChIKeyYDIKPRGZNQENRL-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.09
Rot. Bonds6

About 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide

3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide (PubChem CID 17409313) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
PubChem CID17409313
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
SMILESCc1cccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H24N2O4S/c1-16-5-4-8-17(13-16)20(23)21-14-18-6-2-3-7-19(18)15-27(24,25)22-9-11-26-12-10-22/h2-8,13H,9-12,14-15H2,1H3,(H,21,23)
InChIKeyYDIKPRGZNQENRL-UHFFFAOYSA-N
XLogP2.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24541809
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 24541794
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 24541820
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24541807
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-nitrobenzamide
CID 16960953
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 24541806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide (CID 17409313) is 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide is Cc1cccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
The InChIKey is YDIKPRGZNQENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-5-4-8-17(13-16)20(23)21-14-18-6-2-3-7-19(18)15-27(24,25)22-9-11-26-12-10-22/h2-8,13H,9-12,14-15H2,1H3,(H,21,23).
What are the key properties of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide?
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17409313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).