N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide

C14H20N2O4S — CID 104581692

IUPACN-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCOC1CC(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H20N2O4S/c1-8-4-10(5-13(9(8)2)21(15,18)19)14(17)16-11-6-12(7-11)20-3/h4-5,11-12H,6-7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyVCVFPIVBVVQKDV-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.86
Rot. Bonds4

About N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide

N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide (PubChem CID 104581692) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
PubChem CID104581692
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide
SMILESCOC1CC(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H20N2O4S/c1-8-4-10(5-13(9(8)2)21(15,18)19)14(17)16-11-6-12(7-11)20-3/h4-5,11-12H,6-7H2,1-3H3,(H,16,17)(H2,15,18,19)
InChIKeyVCVFPIVBVVQKDV-UHFFFAOYSA-N
XLogP0.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
CID 104600932
N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 60656146
5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367549
N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 115769138
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
3-amino-4,5-dichloro-N-(3-methoxycyclobutyl)benzamide
CID 114118479
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119575326
3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
CID 103082469
3-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119177471
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
N-cyclobutyl-4-methyl-3-nitro-5-sulfamoylbenzamide
CID 65388451
7-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]heptanoic acid
CID 119227574

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide (CID 104581692) is N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide is COC1CC(NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide?
The InChIKey is VCVFPIVBVVQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-8-4-10(5-13(9(8)2)21(15,18)19)14(17)16-11-6-12(7-11)20-3/h4-5,11-12H,6-7H2,1-3H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide?
N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-3,4-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 104581692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).