N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide

C15H24N2O3S — CID 65387000

IUPACN-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-6-11(4)17(7-2)15(18)14-9-13(21(16,19)20)8-10(3)12(14)5/h8-9,11H,6-7H2,1-5H3,(H2,16,19,20)
InChIKeyUVANODCDIRGUET-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.21
Rot. Bonds5

About N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide

N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide (PubChem CID 65387000) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide
PubChem CID65387000
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(S(N)(=O)=O)cc(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-6-11(4)17(7-2)15(18)14-9-13(21(16,19)20)8-10(3)12(14)5/h8-9,11H,6-7H2,1-5H3,(H2,16,19,20)
InChIKeyUVANODCDIRGUET-UHFFFAOYSA-N
XLogP2.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-dimethyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65387190
N,N,2,3-tetramethyl-5-sulfamoylbenzamide
CID 65373871
ethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 63840159
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
2,3-dimethyl-5-sulfamoylbenzamide
CID 65373668
2-propan-2-yloxyethyl 2,3-dimethyl-5-sulfamoylbenzoate
CID 65382072
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
3-[butan-2-yl(ethyl)carbamoyl]-4-chlorobenzenesulfonyl chloride
CID 65370343
N-butan-2-yl-N-ethyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387385
5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
CID 65386809
N-(1-methoxybutan-2-yl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65379978
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide (CID 65387000) is N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide is CCC(C)N(CC)C(=O)c1cc(S(N)(=O)=O)cc(C)c1C.
What is the InChIKey of N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide?
The InChIKey is UVANODCDIRGUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-11(4)17(7-2)15(18)14-9-13(21(16,19)20)8-10(3)12(14)5/h8-9,11H,6-7H2,1-5H3,(H2,16,19,20).
What are the key properties of N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide?
N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2,3-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65387000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).