ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate

C18H28N2O5S — CID 17311755

IUPACethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C18H28N2O5S/c1-6-25-18(22)17(21)19-15-7-9-16(10-8-15)26(23,24)20(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyFEKXMKBWTFVYFX-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.49
Rot. Bonds8

About ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate

ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate (PubChem CID 17311755) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
PubChem CID17311755
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Nameethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C18H28N2O5S/c1-6-25-18(22)17(21)19-15-7-9-16(10-8-15)26(23,24)20(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21)
InChIKeyFEKXMKBWTFVYFX-UHFFFAOYSA-N
XLogP2.49
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
ethyl 2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]acetate
CID 10663093
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
CID 17311636
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 17311380
ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 71464436
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-nitrophenyl)acetamide
CID 17311686
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
4-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 19682262
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate?
The IUPAC name of ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate (CID 17311755) is ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate?
The InChIKey is FEKXMKBWTFVYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-6-25-18(22)17(21)19-15-7-9-16(10-8-15)26(23,24)20(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,21).
What are the key properties of ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate?
ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate has a molecular weight of 384.50 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate is sourced from PubChem (CID 17311755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).