N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide

C22H29N3O4S — CID 46417255

IUPACN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide
SMILESCC1CN(Cc2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H29N3O4S/c1-16-13-25(14-17(2)29-16)15-19-6-4-18(5-7-19)12-23-22(26)20-8-10-21(11-9-20)24-30(3,27)28/h4-11,16-17,24H,12-15H2,1-3H3,(H,23,26)
InChIKeyXCSVUUOSCMNHSO-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.60
Rot. Bonds7

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide (PubChem CID 46417255) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide
PubChem CID46417255
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide
SMILESCC1CN(Cc2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H29N3O4S/c1-16-13-25(14-17(2)29-16)15-19-6-4-18(5-7-19)12-23-22(26)20-8-10-21(11-9-20)24-30(3,27)28/h4-11,16-17,24H,12-15H2,1-3H3,(H,23,26)
InChIKeyXCSVUUOSCMNHSO-UHFFFAOYSA-N
XLogP2.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 55624645
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 167765653
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55623953
5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 51940397
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46417237
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55624076
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46474057

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide (CID 46417255) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide is CC1CN(Cc2ccc(CNC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide?
The InChIKey is XCSVUUOSCMNHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16-13-25(14-17(2)29-16)15-19-6-4-18(5-7-19)12-23-22(26)20-8-10-21(11-9-20)24-30(3,27)28/h4-11,16-17,24H,12-15H2,1-3H3,(H,23,26).
What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide?
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide has a molecular weight of 431.56 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 46417255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).