N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide

C21H27N3O4S — CID 56552754

IUPACN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCC1CN(Cc2cccc(CNC(=O)Cc3ccc(S(N)(=O)=O)cc3)c2)CCO1
InChIInChI=1S/C21H27N3O4S/c1-16-14-24(9-10-28-16)15-19-4-2-3-18(11-19)13-23-21(25)12-17-5-7-20(8-6-17)29(22,26)27/h2-8,11,16H,9-10,12-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyRNKVWTXWNZHRCE-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.41
Rot. Bonds7

About N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide

N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56552754) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56552754
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCC1CN(Cc2cccc(CNC(=O)Cc3ccc(S(N)(=O)=O)cc3)c2)CCO1
InChIInChI=1S/C21H27N3O4S/c1-16-14-24(9-10-28-16)15-19-4-2-3-18(11-19)13-23-21(25)12-17-5-7-20(8-6-17)29(22,26)27/h2-8,11,16H,9-10,12-15H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyRNKVWTXWNZHRCE-UHFFFAOYSA-N
XLogP1.41
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 47900135
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
2-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]butanamide
CID 47900404
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
5-methyl-N-[2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 47900151
1-[(2-fluorophenyl)methyl]-3-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]urea
CID 52502638
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
3-[(2-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63569378
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119864272
4,4-dimethyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pent-2-enamide
CID 72689925
(Z)-2-methyl-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]pent-2-enamide
CID 94820446

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide (CID 56552754) is N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide is CC1CN(Cc2cccc(CNC(=O)Cc3ccc(S(N)(=O)=O)cc3)c2)CCO1.
What is the InChIKey of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is RNKVWTXWNZHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-14-24(9-10-28-16)15-19-4-2-3-18(11-19)13-23-21(25)12-17-5-7-20(8-6-17)29(22,26)27/h2-8,11,16H,9-10,12-15H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide?
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56552754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).