[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate

C17H25N3O6S — CID 56520446

IUPAC[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)CCC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C17H25N3O6S/c1-11(2)4-7-15(21)19-9-17(23)26-10-16(22)20-13-6-5-12(3)14(8-13)27(18,24)25/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,19,21)(H,20,22)(H2,18,24,25)
InChIKeyLWWYCEBSUTWRTR-UHFFFAOYSA-N
MW399.47 g/mol
LogP0.68
Rot. Bonds9

About [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate (PubChem CID 56520446) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate.

Molecular Properties

Compound Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
PubChem CID56520446
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)CCC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C17H25N3O6S/c1-11(2)4-7-15(21)19-9-17(23)26-10-16(22)20-13-6-5-12(3)14(8-13)27(18,24)25/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,19,21)(H,20,22)(H2,18,24,25)
InChIKeyLWWYCEBSUTWRTR-UHFFFAOYSA-N
XLogP0.68
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-phenoxypropanoate
CID 55366679
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55365933
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 55569249
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850
[2-(3-methylanilino)-2-oxoethyl] 4-methylpentanoate
CID 84603861
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 55367935
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 9016360

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
The IUPAC name of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate (CID 56520446) is [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate.
What is the SMILES notation for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
The canonical SMILES for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate is Cc1ccc(NC(=O)COC(=O)CNC(=O)CCC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
The InChIKey is LWWYCEBSUTWRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-11(2)4-7-15(21)19-9-17(23)26-10-16(22)20-13-6-5-12(3)14(8-13)27(18,24)25/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,19,21)(H,20,22)(H2,18,24,25).
What are the key properties of [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate?
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate has a molecular weight of 399.47 g/mol, XLogP of 0.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate is sourced from PubChem (CID 56520446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).