[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate

C18H28N2O5S — CID 9200014

IUPAC[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O5S/c1-13(2)20(6)26(23,24)15-9-7-14(8-10-15)19-16(21)12-25-17(22)11-18(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,19,21)
InChIKeyKNAPEFLAPVLMQU-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.63
Rot. Bonds7

About [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate

[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate (PubChem CID 9200014) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate.

Molecular Properties

Compound Name[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate
PubChem CID9200014
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C18H28N2O5S/c1-13(2)20(6)26(23,24)15-9-7-14(8-10-15)19-16(21)12-25-17(22)11-18(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,19,21)
InChIKeyKNAPEFLAPVLMQU-UHFFFAOYSA-N
XLogP2.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
2-(3,4-dimethylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 8759555
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 40782377
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603643
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950680
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8626147
2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid
CID 122074429
4-(4-methoxyphenoxy)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]butanamide
CID 9219938

Frequently Asked Questions

What is the IUPAC name of [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
The IUPAC name of [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate (CID 9200014) is [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate.
What is the SMILES notation for [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
The canonical SMILES for [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)CC(C)(C)C)cc1.
What is the InChIKey of [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
The InChIKey is KNAPEFLAPVLMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-13(2)20(6)26(23,24)15-9-7-14(8-10-15)19-16(21)12-25-17(22)11-18(3,4)5/h7-10,13H,11-12H2,1-6H3,(H,19,21).
What are the key properties of [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate?
[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate has a molecular weight of 384.50 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate is sourced from PubChem (CID 9200014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).