N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide

C13H18N2O5S — CID 65374073

IUPACN-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCC1CC1
InChIInChI=1S/C13H18N2O5S/c1-19-9-5-6-10(21(14,17)18)12(20-2)11(9)13(16)15-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyCHCDCWKPEYJHDX-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.49
Rot. Bonds6

About N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide

N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide (PubChem CID 65374073) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide
PubChem CID65374073
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC NameN-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCC1CC1
InChIInChI=1S/C13H18N2O5S/c1-19-9-5-6-10(21(14,17)18)12(20-2)11(9)13(16)15-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyCHCDCWKPEYJHDX-UHFFFAOYSA-N
XLogP0.49
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725
N-(cyclopropylmethyl)-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82913298
butyl 2,6-dimethoxy-3-sulfamoylbenzoate
CID 65379600
N-(cyclopentylmethyl)-2-sulfamoylbenzamide
CID 43371345
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
2-cyclobutyl-N-[(4-methoxy-3-sulfamoylphenyl)methyl]acetamide
CID 103164409
3-bromo-5-(cyclopropylmethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65371615
N-(cyclopropylmethyl)-2-(4-methyl-2-sulfamoylphenoxy)acetamide
CID 82921293

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide (CID 65374073) is N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide?
The InChIKey is CHCDCWKPEYJHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-19-9-5-6-10(21(14,17)18)12(20-2)11(9)13(16)15-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide?
N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,6-dimethoxy-3-sulfamoylbenzamide is sourced from PubChem (CID 65374073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).