2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide

C13H20N2O4S — CID 171134247

IUPAC2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)NCC(C)C)cc1C(N)=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-12-6-5-10(7-11(12)13(14)16)20(17,18)15-8-9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H2,14,16)
InChIKeyUAJHKEJOSCTWMO-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.12
Rot. Bonds7

About 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide

2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide (PubChem CID 171134247) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
PubChem CID171134247
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide
SMILESCCOc1ccc(S(=O)(=O)NCC(C)C)cc1C(N)=O
InChIInChI=1S/C13H20N2O4S/c1-4-19-12-6-5-10(7-11(12)13(14)16)20(17,18)15-8-9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H2,14,16)
InChIKeyUAJHKEJOSCTWMO-UHFFFAOYSA-N
XLogP1.12
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-5-(2-methylpropylsulfamoyl)benzoate
CID 47131741
2-ethoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43327819
5-(2-methylpropylsulfonyl)-2-propoxybenzamide
CID 21420407
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
2-ethoxy-5-(pentylsulfamoyl)benzoic acid
CID 43327811
2-amino-5-(ethylsulfamoyl)benzamide
CID 82478029
5-[2,2-bis(furan-2-yl)ethylsulfamoyl]-2-methoxybenzamide
CID 131703692
3-[(3-carbamoyl-4-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 62675880
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 1007844
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[(2-hydroxy-2-methylpropyl)sulfamoyl]-2-methoxybenzamide
CID 65113342

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide (CID 171134247) is 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide is CCOc1ccc(S(=O)(=O)NCC(C)C)cc1C(N)=O.
What is the InChIKey of 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is UAJHKEJOSCTWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-19-12-6-5-10(7-11(12)13(14)16)20(17,18)15-8-9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H2,14,16).
What are the key properties of 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide?
2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 171134247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).