4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid

C14H21NO4S — CID 43588369

IUPAC4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
SMILESCCN(Cc1ccccc1C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-3-15(11-13-8-5-4-7-12(13)2)20(18,19)10-6-9-14(16)17/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17)
InChIKeyFRWOKTNUYVJNIO-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.01
Rot. Bonds8

About 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid

4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid (PubChem CID 43588369) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
PubChem CID43588369
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid
SMILESCCN(Cc1ccccc1C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C14H21NO4S/c1-3-15(11-13-8-5-4-7-12(13)2)20(18,19)10-6-9-14(16)17/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17)
InChIKeyFRWOKTNUYVJNIO-UHFFFAOYSA-N
XLogP2.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]propanoic acid
CID 43588371
3-[(2-chlorophenyl)methyl-ethylsulfamoyl]propanoic acid
CID 60951558
4-[benzyl(propyl)sulfamoyl]butanoic acid
CID 43173076
4-[(5-bromothiophen-2-yl)methyl-ethylsulfamoyl]butanoic acid
CID 54875088
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
4-[(2,4-dimethylphenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362073
2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid
CID 167962572
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
2-[2-(diethylsulfamoyl)ethyl]-3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]guanidine
CID 111980201
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
3-[3-hydroxypropyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 82327795

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid (CID 43588369) is 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid is CCN(Cc1ccccc1C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid?
The InChIKey is FRWOKTNUYVJNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-15(11-13-8-5-4-7-12(13)2)20(18,19)10-6-9-14(16)17/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid?
4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid has a molecular weight of 299.39 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 43588369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).