2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid

C14H20N2O6S — CID 119189349

IUPAC2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O6S/c1-10-4-5-11(8-12(10)15-23(3,20)21)14(19)16(6-7-22-2)9-13(17)18/h4-5,8,15H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyUZNWXBZGTNGBMD-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.54
Rot. Bonds8

About 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid

2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189349) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189349
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H20N2O6S/c1-10-4-5-11(8-12(10)15-23(3,20)21)14(19)16(6-7-22-2)9-13(17)18/h4-5,8,15H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyUZNWXBZGTNGBMD-UHFFFAOYSA-N
XLogP0.54
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid
CID 119955065
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 87031354
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
CID 51078705
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
CID 41448762
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 60591541

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid (CID 119189349) is 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is UZNWXBZGTNGBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-10-4-5-11(8-12(10)15-23(3,20)21)14(19)16(6-7-22-2)9-13(17)18/h4-5,8,15H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 344.39 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).