cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

C14H17N3O5S — CID 7979636

IUPACcyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)OCC#N)cc1
InChIInChI=1S/C14H17N3O5S/c1-10(2)17-23(20,21)12-5-3-11(4-6-12)14(19)16-9-13(18)22-8-7-15/h3-6,10,17H,8-9H2,1-2H3,(H,16,19)
InChIKeyFHJKZCSEIAKEOM-UHFFFAOYSA-N
MW339.37 g/mol
LogP0.17
Rot. Bonds7

About cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate (PubChem CID 7979636) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namecyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
PubChem CID7979636
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Namecyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)OCC#N)cc1
InChIInChI=1S/C14H17N3O5S/c1-10(2)17-23(20,21)12-5-3-11(4-6-12)14(19)16-9-13(18)22-8-7-15/h3-6,10,17H,8-9H2,1-2H3,(H,16,19)
InChIKeyFHJKZCSEIAKEOM-UHFFFAOYSA-N
XLogP0.17
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979620
cyanomethyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854521
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979598
cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 4687610
cyanomethyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364242
cyanomethyl 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoate
CID 41143254
N-(3-hydroxy-2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 65031709
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9032480
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
ethyl 2-[[4-(ethylsulfamoyl)benzoyl]amino]acetate
CID 60812284
N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9427293

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate (CID 7979636) is cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate is CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)OCC#N)cc1.
What is the InChIKey of cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is FHJKZCSEIAKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-10(2)17-23(20,21)12-5-3-11(4-6-12)14(19)16-9-13(18)22-8-7-15/h3-6,10,17H,8-9H2,1-2H3,(H,16,19).
What are the key properties of cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate?
cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 339.37 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 7979636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).