methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate

C14H21NO4S — CID 61460718

IUPACmethyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO4S/c1-11(2)12-6-8-13(9-7-12)15-20(17,18)10-4-5-14(16)19-3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyOVGNLDXERATTQL-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.50
Rot. Bonds7

About methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate

methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate (PubChem CID 61460718) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
PubChem CID61460718
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Namemethyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C14H21NO4S/c1-11(2)12-6-8-13(9-7-12)15-20(17,18)10-4-5-14(16)19-3/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyOVGNLDXERATTQL-UHFFFAOYSA-N
XLogP2.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460482
4-amino-N-(4-propan-2-ylphenyl)butane-1-sulfonamide
CID 54952609
methyl 4-[(3-carbamoyl-4-chlorophenyl)sulfamoyl]butanoate
CID 61460334
methyl 4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]butanoate
CID 61460467
methyl 4-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]butanoate
CID 61460424
methyl 4-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]butanoate
CID 81350625
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
methyl 4-(1,3-benzodioxol-5-ylsulfamoyl)butanoate
CID 61460557
methyl 4-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoate
CID 60675409
2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339625
methyl 4-[[3-(difluoromethoxy)phenyl]sulfamoyl]butanoate
CID 61460208

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate (CID 61460718) is methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate?
The InChIKey is OVGNLDXERATTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11(2)12-6-8-13(9-7-12)15-20(17,18)10-4-5-14(16)19-3/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate?
methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate has a molecular weight of 299.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-propan-2-ylphenyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).