4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide

C13H20N2O5S — CID 64688964

IUPAC4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O5S/c1-4-10(8-19-2)15-13(16)9-5-6-11(20-3)12(7-9)21(14,17)18/h5-7,10H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyLYYMOBPPCGGJRQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.50
Rot. Bonds7

About 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide

4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide (PubChem CID 64688964) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
PubChem CID64688964
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(COC)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O5S/c1-4-10(8-19-2)15-13(16)9-5-6-11(20-3)12(7-9)21(14,17)18/h5-7,10H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyLYYMOBPPCGGJRQ-UHFFFAOYSA-N
XLogP0.50
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65381397
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
3-amino-N-(1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628870
1-ethoxypropan-2-yl 4-methoxy-3-sulfamoylbenzoate
CID 103491207
2,4-dichloro-N-(1-methoxybutan-2-yl)-5-sulfamoylbenzamide
CID 64688965
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
3-N-(4-chlorophenyl)-4-methoxy-1-N-(1-methoxybutan-2-yl)benzene-1,3-dicarboxamide
CID 23141504
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide (CID 64688964) is 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide is CCC(COC)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is LYYMOBPPCGGJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-4-10(8-19-2)15-13(16)9-5-6-11(20-3)12(7-9)21(14,17)18/h5-7,10H,4,8H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide?
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 316.38 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 64688964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).