benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate

C17H18N2O5S — CID 30581707

IUPACbenzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H18N2O5S/c1-25(22,23)19-15-9-5-8-14(10-15)17(21)18-11-16(20)24-12-13-6-3-2-4-7-13/h2-10,19H,11-12H2,1H3,(H,18,21)
InChIKeyFDWYJFNXQJPTAF-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.53
Rot. Bonds7

About benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate

benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate (PubChem CID 30581707) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
PubChem CID30581707
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namebenzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H18N2O5S/c1-25(22,23)19-15-9-5-8-14(10-15)17(21)18-11-16(20)24-12-13-6-3-2-4-7-13/h2-10,19H,11-12H2,1H3,(H,18,21)
InChIKeyFDWYJFNXQJPTAF-UHFFFAOYSA-N
XLogP1.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate (CID 30581707) is benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate is CS(=O)(=O)Nc1cccc(C(=O)NCC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate?
The InChIKey is FDWYJFNXQJPTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-25(22,23)19-15-9-5-8-14(10-15)17(21)18-11-16(20)24-12-13-6-3-2-4-7-13/h2-10,19H,11-12H2,1H3,(H,18,21).
What are the key properties of benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate?
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate has a molecular weight of 362.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate is sourced from PubChem (CID 30581707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).