2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid

C17H24N2O5S — CID 119213891

IUPAC2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-4-19(5-2)25(23,24)13-9-6-11(3)14(10-13)16(20)18-15(17(21)22)12-7-8-12/h6,9-10,12,15H,4-5,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyFBPBEDZFULIIOQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.62
Rot. Bonds8

About 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid

2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid (PubChem CID 119213891) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
PubChem CID119213891
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-4-19(5-2)25(23,24)13-9-6-11(3)14(10-13)16(20)18-15(17(21)22)12-7-8-12/h6,9-10,12,15H,4-5,7-8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyFBPBEDZFULIIOQ-UHFFFAOYSA-N
XLogP1.62
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-(diethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119614141
4-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230116
(E)-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]hex-4-enoic acid
CID 120693637
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
methyl 3-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]-3-phenylpropanoate
CID 17483777
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid (CID 119213891) is 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
The InChIKey is FBPBEDZFULIIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-4-19(5-2)25(23,24)13-9-6-11(3)14(10-13)16(20)18-15(17(21)22)12-7-8-12/h6,9-10,12,15H,4-5,7-8H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid has a molecular weight of 368.46 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[5-(diethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid is sourced from PubChem (CID 119213891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).