2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid

C17H24N2O5S — CID 119193315

IUPAC2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-12(2)10-19(11-16(20)21)17(22)14-4-3-5-15(8-14)25(23,24)18-9-13-6-7-13/h3-5,8,12-13,18H,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeyIIAFHWZDQSHAQQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.56
Rot. Bonds9

About 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid

2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193315) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193315
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C17H24N2O5S/c1-12(2)10-19(11-16(20)21)17(22)14-4-3-5-15(8-14)25(23,24)18-9-13-6-7-13/h3-5,8,12-13,18H,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeyIIAFHWZDQSHAQQ-UHFFFAOYSA-N
XLogP1.56
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-butan-2-yl-3-(cyclopropylmethylsulfamoyl)benzamide
CID 56536544
N-cyclohexyl-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 46596766
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
2-[[3-(benzenesulfonylmethyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193442
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
3-(cyclopropylmethylsulfamoyl)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 51953527
3-(cyclopropylmethylsulfamoyl)-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methylbenzamide
CID 126808026
2-[(3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 55133359
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid (CID 119193315) is 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is IIAFHWZDQSHAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12(2)10-19(11-16(20)21)17(22)14-4-3-5-15(8-14)25(23,24)18-9-13-6-7-13/h3-5,8,12-13,18H,6-7,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 368.46 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).