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

C13H20N2O5S — CID 65381397

IUPAC4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
SMILESCOCCC(C)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O5S/c1-9(6-7-19-2)15-13(16)10-4-5-11(20-3)12(8-10)21(14,17)18/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyLTTYBQXSRATUNS-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.50
Rot. Bonds7

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

4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65381397) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
PubChem CID65381397
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
SMILESCOCCC(C)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H20N2O5S/c1-9(6-7-19-2)15-13(16)10-4-5-11(20-3)12(8-10)21(14,17)18/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyLTTYBQXSRATUNS-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-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65380192
N-(1-ethoxypropan-2-yl)-4-methoxy-3-sulfamoylbenzamide
CID 65389004
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964
3-(dimethylsulfamoyl)-4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 92517191
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
4-(dimethylamino)-N-(1-methoxypropan-2-yl)-3-sulfamoylbenzamide
CID 65375926
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
3-(ethylsulfamoyl)-4-methoxy-N-[(2S)-pentan-2-yl]benzamide
CID 25419357
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide (CID 65381397) is 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide is COCCC(C)NC(=O)c1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is LTTYBQXSRATUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-9(6-7-19-2)15-13(16)10-4-5-11(20-3)12(8-10)21(14,17)18/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-methoxy-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide?
4-methoxy-N-(4-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-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65381397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).