2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide

C19H24N2O4S — CID 55957400

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccccc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-4-25-18-13-9-8-10-16(18)14-20(2)19(22)15-21(3)26(23,24)17-11-6-5-7-12-17/h5-13H,4,14-15H2,1-3H3
InChIKeyZYCGRCZFJKOOLM-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.36
Rot. Bonds8

About 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide

2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 55957400) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID55957400
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccccc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-4-25-18-13-9-8-10-16(18)14-20(2)19(22)15-21(3)26(23,24)17-11-6-5-7-12-17/h5-13H,4,14-15H2,1-3H3
InChIKeyZYCGRCZFJKOOLM-UHFFFAOYSA-N
XLogP2.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[3-(2-ethoxyphenyl)propyl]acetamide
CID 100763497
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
N-[4-[(2-ethoxyphenyl)methyl-methylsulfamoyl]phenyl]acetamide
CID 94606005
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 34866736
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92647368
N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
N-[2-[(2-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 51087801

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide (CID 55957400) is 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccccc1CN(C)C(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is ZYCGRCZFJKOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-25-18-13-9-8-10-16(18)14-20(2)19(22)15-21(3)26(23,24)17-11-6-5-7-12-17/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55957400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).