propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate

C19H22N2O6S — CID 56546673

IUPACpropan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(=O)OC(C)C)cc1
InChIInChI=1S/C19H22N2O6S/c1-13(2)27-18(22)12-20-19(23)14-8-10-15(11-9-14)28(24,25)21-16-6-4-5-7-17(16)26-3/h4-11,13,21H,12H2,1-3H3,(H,20,23)
InChIKeyQDECXBWLYFCQAN-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.18
Rot. Bonds8

About propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate

propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate (PubChem CID 56546673) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
PubChem CID56546673
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namepropan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(=O)OC(C)C)cc1
InChIInChI=1S/C19H22N2O6S/c1-13(2)27-18(22)12-20-19(23)14-8-10-15(11-9-14)28(24,25)21-16-6-4-5-7-17(16)26-3/h4-11,13,21H,12H2,1-3H3,(H,20,23)
InChIKeyQDECXBWLYFCQAN-UHFFFAOYSA-N
XLogP2.18
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methoxyphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861429
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30890199
4-[(2-methoxyphenyl)sulfamoyl]-N-(1-thiophen-2-ylethyl)benzamide
CID 43003138
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46462402
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30873016
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861048

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate (CID 56546673) is propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate?
The InChIKey is QDECXBWLYFCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13(2)27-18(22)12-20-19(23)14-8-10-15(11-9-14)28(24,25)21-16-6-4-5-7-17(16)26-3/h4-11,13,21H,12H2,1-3H3,(H,20,23).
What are the key properties of propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate?
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate has a molecular weight of 406.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate is sourced from PubChem (CID 56546673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).