N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide

C21H26N2O5S — CID 9094422

IUPACN-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-13-10-22(17-18-6-3-2-4-7-18)21(24)19-8-5-9-20(16-19)29(25,26)23-11-14-28-15-12-23/h2-9,16H,10-15,17H2,1H3
InChIKeyDSZHJVNMMDLECA-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.00
Rot. Bonds8

About N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide

N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 9094422) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID9094422
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-13-10-22(17-18-6-3-2-4-7-18)21(24)19-8-5-9-20(16-19)29(25,26)23-11-14-28-15-12-23/h2-9,16H,10-15,17H2,1H3
InChIKeyDSZHJVNMMDLECA-UHFFFAOYSA-N
XLogP2.00
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-benzylamino]propanoate
CID 55514492
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
methyl 3-[benzyl-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]propanoate
CID 55512994
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 34736303
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
3-(azepan-1-ylsulfonyl)-N-benzyl-4-chloro-N-(2-methoxyethyl)benzamide
CID 26292081
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 120702004

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 9094422) is N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide is COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DSZHJVNMMDLECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-13-10-22(17-18-6-3-2-4-7-18)21(24)19-8-5-9-20(16-19)29(25,26)23-11-14-28-15-12-23/h2-9,16H,10-15,17H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide?
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 9094422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).