N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide

C11H16N2O3S — CID 47109334

IUPACN-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCCNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-4-13-11(14)9-5-7(2)8(3)10(6-9)17(12,15)16/h5-6H,4H2,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeyLYMSHALXVPIYDL-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.70
Rot. Bonds3

About N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide

N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 47109334) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID47109334
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCCNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O3S/c1-4-13-11(14)9-5-7(2)8(3)10(6-9)17(12,15)16/h5-6H,4H2,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeyLYMSHALXVPIYDL-UHFFFAOYSA-N
XLogP0.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119177471
N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 60656146
5-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]pentanoic acid
CID 119235149
3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 115643625
7-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]heptanoic acid
CID 119227574
4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
CID 65374812
N-[2-(diethylamino)-2-phenylethyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78822026
3-chloro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65375338
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119608396
3-bromo-4-methyl-N-pentyl-5-sulfamoylbenzamide
CID 81488626
3-bromo-N-hexyl-4-methyl-5-sulfamoylbenzamide
CID 81479870
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119575326

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide (CID 47109334) is N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide is CCNC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1.
What is the InChIKey of N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is LYMSHALXVPIYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-13-11(14)9-5-7(2)8(3)10(6-9)17(12,15)16/h5-6H,4H2,1-3H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide?
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 256.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 47109334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).