propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate

C20H24N2O5S — CID 56536549

IUPACpropan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)OC(C)C)cc2)cc1C
InChIInChI=1S/C20H24N2O5S/c1-13(2)27-19(23)12-21-20(24)16-6-8-17(9-7-16)22-28(25,26)18-10-5-14(3)15(4)11-18/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyCOSVSEYUGJTCBG-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.79
Rot. Bonds7

About propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate

propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate (PubChem CID 56536549) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
PubChem CID56536549
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namepropan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)OC(C)C)cc2)cc1C
InChIInChI=1S/C20H24N2O5S/c1-13(2)27-19(23)12-21-20(24)16-6-8-17(9-7-16)22-28(25,26)18-10-5-14(3)15(4)11-18/h5-11,13,22H,12H2,1-4H3,(H,21,24)
InChIKeyCOSVSEYUGJTCBG-UHFFFAOYSA-N
XLogP2.79
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
propan-2-yl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 43010505
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
methyl 2-[[4-[[4-(2-methoxyethoxy)-3-methylphenyl]sulfonylamino]benzoyl]amino]acetate
CID 55638896
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 9068493
propan-2-yl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56546673
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
methyl 3-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]-4-methylbenzoate
CID 30805358
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
CID 56551038

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate (CID 56536549) is propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)OC(C)C)cc2)cc1C.
What is the InChIKey of propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate?
The InChIKey is COSVSEYUGJTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13(2)27-19(23)12-21-20(24)16-6-8-17(9-7-16)22-28(25,26)18-10-5-14(3)15(4)11-18/h5-11,13,22H,12H2,1-4H3,(H,21,24).
What are the key properties of propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate?
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate has a molecular weight of 404.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate is sourced from PubChem (CID 56536549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).