propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate

C20H24N2O5S — CID 46483453

IUPACpropan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-14(2)27-19(23)13-18(15-8-5-4-6-9-15)22-20(24)16-10-7-11-17(12-16)28(25,26)21-3/h4-12,14,18,21H,13H2,1-3H3,(H,22,24)
InChIKeyWYSXPELTABEFGM-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.41
Rot. Bonds8

About propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate (PubChem CID 46483453) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
PubChem CID46483453
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namepropan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
SMILESCNS(=O)(=O)c1cccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-14(2)27-19(23)13-18(15-8-5-4-6-9-15)22-20(24)16-10-7-11-17(12-16)28(25,26)21-3/h4-12,14,18,21H,13H2,1-3H3,(H,22,24)
InChIKeyWYSXPELTABEFGM-UHFFFAOYSA-N
XLogP2.41
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl (3R)-3-[[3-(methylsulfonylmethyl)benzoyl]amino]-3-phenylpropanoate
CID 26975678
methyl 3-(3,4-dimethoxyphenyl)-3-[[3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 46637244
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
propan-2-yl 3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-phenylpropanoate
CID 46483434
methyl (3S)-3-[[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-phenylpropanoate
CID 26048394
propan-2-yl 3-[(2-bromo-5-sulfamoylbenzoyl)amino]-3-phenylpropanoate
CID 55439935
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
propan-2-yl 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-phenylpropanoate
CID 55494275
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
CID 100621234
propan-2-yl 3-[[4-(4-carbamoylphenoxy)benzoyl]amino]-3-phenylpropanoate
CID 56545987
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate (CID 46483453) is propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate is CNS(=O)(=O)c1cccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)c1.
What is the InChIKey of propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
The InChIKey is WYSXPELTABEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(2)27-19(23)13-18(15-8-5-4-6-9-15)22-20(24)16-10-7-11-17(12-16)28(25,26)21-3/h4-12,14,18,21H,13H2,1-3H3,(H,22,24).
What are the key properties of propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate has a molecular weight of 404.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[3-(methylsulfamoyl)benzoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 46483453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).