N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide

C18H22N2O4S — CID 31236388

IUPACN-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-24-12-11-20(14-15-7-4-3-5-8-15)18(21)16-9-6-10-17(13-16)19-25(2,22)23/h3-10,13,19H,11-12,14H2,1-2H3
InChIKeyQYBNXLMNDVJLAQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.35
Rot. Bonds8

About N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide

N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide (PubChem CID 31236388) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
PubChem CID31236388
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S/c1-24-12-11-20(14-15-7-4-3-5-8-15)18(21)16-9-6-10-17(13-16)19-25(2,22)23/h3-10,13,19H,11-12,14H2,1-2H3
InChIKeyQYBNXLMNDVJLAQ-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
N-benzyl-3-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 9094420
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179
3-(benzenesulfonamido)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 32954431
N-benzyl-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 43017329
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
N-benzyl-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 38518080
N-benzyl-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028376
N-benzyl-N-(2-methoxyethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46555724
N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide (CID 31236388) is N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide is COCCN(Cc1ccccc1)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
The InChIKey is QYBNXLMNDVJLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-24-12-11-20(14-15-7-4-3-5-8-15)18(21)16-9-6-10-17(13-16)19-25(2,22)23/h3-10,13,19H,11-12,14H2,1-2H3.
What are the key properties of N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide?
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 31236388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).