2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid

C17H24N2O6S — CID 120548970

IUPAC2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC(C(=O)O)C2CCCOC2)c1
InChIInChI=1S/C17H24N2O6S/c1-11(2)19-26(23,24)14-7-3-5-12(9-14)16(20)18-15(17(21)22)13-6-4-8-25-10-13/h3,5,7,9,11,13,15,19H,4,6,8,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyNNJPMXGMRRLCCP-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.98
Rot. Bonds7

About 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid

2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 120548970) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID120548970
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC(C(=O)O)C2CCCOC2)c1
InChIInChI=1S/C17H24N2O6S/c1-11(2)19-26(23,24)14-7-3-5-12(9-14)16(20)18-15(17(21)22)13-6-4-8-25-10-13/h3,5,7,9,11,13,15,19H,4,6,8,10H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyNNJPMXGMRRLCCP-UHFFFAOYSA-N
XLogP0.98
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-3-yl)-2-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]acetic acid
CID 120547893
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548194
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549018
2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 119213497
2-[[3-(4-chlorophenoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547587
2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548221
2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547872
2-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548532
2-(1-benzothiophene-5-carbonylamino)-2-(oxan-3-yl)acetic acid
CID 120548414
(2R)-2-[(4-cyclobutylbenzoyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469945

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid (CID 120548970) is 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid is CC(C)NS(=O)(=O)c1cccc(C(=O)NC(C(=O)O)C2CCCOC2)c1.
What is the InChIKey of 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is NNJPMXGMRRLCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-11(2)19-26(23,24)14-7-3-5-12(9-14)16(20)18-15(17(21)22)13-6-4-8-25-10-13/h3,5,7,9,11,13,15,19H,4,6,8,10H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 384.45 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 120548970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).