4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

C20H26N2O5S — CID 34637912

IUPAC4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-4-5-11-27-18-10-9-16(13-19(18)26-3)20(23)22-14-15-7-6-8-17(12-15)28(24,25)21-2/h6-10,12-13,21H,4-5,11,14H2,1-3H3,(H,22,23)
InChIKeyMNZRVHWZFVJFJJ-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.71
Rot. Bonds10

About 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide

4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 34637912) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
PubChem CID34637912
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1OC
InChIInChI=1S/C20H26N2O5S/c1-4-5-11-27-18-10-9-16(13-19(18)26-3)20(23)22-14-15-7-6-8-17(12-15)28(24,25)21-2/h6-10,12-13,21H,4-5,11,14H2,1-3H3,(H,22,23)
InChIKeyMNZRVHWZFVJFJJ-UHFFFAOYSA-N
XLogP2.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
CID 55812224
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide
CID 19014684
N-[(1-ethylpyridin-1-ium-3-yl)methyl]-4-hexadecoxy-3-methoxybenzamide
CID 19015126
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]-4-tetradecoxybenzamide
CID 19015376
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 39971484
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55931330
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 55944871

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide (CID 34637912) is 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is CCCCOc1ccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is MNZRVHWZFVJFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-5-11-27-18-10-9-16(13-19(18)26-3)20(23)22-14-15-7-6-8-17(12-15)28(24,25)21-2/h6-10,12-13,21H,4-5,11,14H2,1-3H3,(H,22,23).
What are the key properties of 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide?
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 406.50 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 34637912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).