benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate

C20H24N2O5S — CID 26878123

IUPACbenzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-15(2)22(3)28(25,26)18-11-7-10-17(12-18)20(24)21-13-19(23)27-14-16-8-5-4-6-9-16/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeySFUSHLLUSPQLHQ-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.19
Rot. Bonds8

About benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate

benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate (PubChem CID 26878123) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate
PubChem CID26878123
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Namebenzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C20H24N2O5S/c1-15(2)22(3)28(25,26)18-11-7-10-17(12-18)20(24)21-13-19(23)27-14-16-8-5-4-6-9-16/h4-12,15H,13-14H2,1-3H3,(H,21,24)
InChIKeySFUSHLLUSPQLHQ-UHFFFAOYSA-N
XLogP2.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119641846
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
benzyl 2-benzamidoacetate;ethane
CID 142836612
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753628
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
CID 110355133

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate (CID 26878123) is benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate?
The InChIKey is SFUSHLLUSPQLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15(2)22(3)28(25,26)18-11-7-10-17(12-18)20(24)21-13-19(23)27-14-16-8-5-4-6-9-16/h4-12,15H,13-14H2,1-3H3,(H,21,24).
What are the key properties of benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate?
benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate has a molecular weight of 404.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]acetate is sourced from PubChem (CID 26878123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).