2-[(2-propylsulfonylbenzoyl)amino]acetic acid

C12H15NO5S — CID 119171610

IUPAC2-[(2-propylsulfonylbenzoyl)amino]acetic acid
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C12H15NO5S/c1-2-7-19(17,18)10-6-4-3-5-9(10)12(16)13-8-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyWGIFOJVRSVFNFK-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.68
Rot. Bonds6

About 2-[(2-propylsulfonylbenzoyl)amino]acetic acid

2-[(2-propylsulfonylbenzoyl)amino]acetic acid (PubChem CID 119171610) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(2-propylsulfonylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-propylsulfonylbenzoyl)amino]acetic acid
PubChem CID119171610
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name2-[(2-propylsulfonylbenzoyl)amino]acetic acid
SMILESCCCS(=O)(=O)c1ccccc1C(=O)NCC(=O)O
InChIInChI=1S/C12H15NO5S/c1-2-7-19(17,18)10-6-4-3-5-9(10)12(16)13-8-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15)
InChIKeyWGIFOJVRSVFNFK-UHFFFAOYSA-N
XLogP0.68
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
2,2-dimethyl-3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119250169
N-(cyanomethyl)-2-propylsulfonylbenzamide
CID 17224796
N-(2-amino-2-methylpropyl)-2-propylsulfonylbenzamide;hydrochloride
CID 119629136
N-[2-(ethylamino)ethyl]-2-propylsulfonylbenzamide;hydrochloride
CID 119507988
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
N-(3-amino-2-methylpropyl)-2-propylsulfonylbenzamide
CID 119995898
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylsulfonylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-propylsulfonylbenzoyl)amino]acetic acid (CID 119171610) is 2-[(2-propylsulfonylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-propylsulfonylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-propylsulfonylbenzoyl)amino]acetic acid is CCCS(=O)(=O)c1ccccc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-propylsulfonylbenzoyl)amino]acetic acid?
The InChIKey is WGIFOJVRSVFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-2-7-19(17,18)10-6-4-3-5-9(10)12(16)13-8-11(14)15/h3-6H,2,7-8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(2-propylsulfonylbenzoyl)amino]acetic acid?
2-[(2-propylsulfonylbenzoyl)amino]acetic acid has a molecular weight of 285.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylsulfonylbenzoyl)amino]acetic acid is sourced from PubChem (CID 119171610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).