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

C17H26N2O6S — CID 119189513

IUPAC2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)O)ccc1C
InChIInChI=1S/C17H26N2O6S/c1-5-19(6-2)26(23,24)15-11-14(8-7-13(15)3)17(22)18(9-10-25-4)12-16(20)21/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,20,21)
InChIKeySXEMZCKJWFWKIK-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.20
Rot. Bonds10

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

2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189513) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189513
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Name2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)O)ccc1C
InChIInChI=1S/C17H26N2O6S/c1-5-19(6-2)26(23,24)15-11-14(8-7-13(15)3)17(22)18(9-10-25-4)12-16(20)21/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,20,21)
InChIKeySXEMZCKJWFWKIK-UHFFFAOYSA-N
XLogP1.20
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
3-(diethylsulfamoyl)-4-methyl-N,N-bis(prop-2-enyl)benzamide
CID 78784360
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
3-(diethylsulfamoyl)-N,4-dimethyl-N-(3-phenylpropyl)benzamide
CID 55710404
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
3-[ethyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 60951989
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
methyl 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-2-methylpropanoate
CID 55609572

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid (CID 119189513) is 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)O)ccc1C.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SXEMZCKJWFWKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-5-19(6-2)26(23,24)15-11-14(8-7-13(15)3)17(22)18(9-10-25-4)12-16(20)21/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,20,21).
What are the key properties of 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 386.47 g/mol, XLogP of 1.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).