N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C26H29N3O3S — CID 55801201

IUPACN-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC(C)O1
InChIInChI=1S/C26H29N3O3S/c1-18-15-29(16-19(2)32-18)17-22-6-3-4-7-23(22)28-25(30)21-11-9-20(10-12-21)14-27-26(31)24-8-5-13-33-24/h3-13,18-19H,14-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWNXZUXORVLEYLF-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.54
Rot. Bonds7

About N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55801201) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID55801201
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC(C)O1
InChIInChI=1S/C26H29N3O3S/c1-18-15-29(16-19(2)32-18)17-22-6-3-4-7-23(22)28-25(30)21-11-9-20(10-12-21)14-27-26(31)24-8-5-13-33-24/h3-13,18-19H,14-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWNXZUXORVLEYLF-UHFFFAOYSA-N
XLogP4.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55801175
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905
1-[(2-chlorophenyl)methyl]-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 55801204
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55801206
1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-fluorophenyl)urea
CID 86979768

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 55801201) is N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is CC1CN(Cc2ccccc2NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is WNXZUXORVLEYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-18-15-29(16-19(2)32-18)17-22-6-3-4-7-23(22)28-25(30)21-11-9-20(10-12-21)14-27-26(31)24-8-5-13-33-24/h3-13,18-19H,14-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55801201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).