2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide

C17H20N2O4S — CID 110761535

IUPAC2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1cc(C)c(C)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-11-8-15(16(23-3)9-12(11)2)17(20)19-10-13-4-6-14(7-5-13)24(18,21)22/h4-9H,10H2,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyBQHHMGWAVRVXMJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.89
Rot. Bonds5

About 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide

2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 110761535) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID110761535
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1cc(C)c(C)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-11-8-15(16(23-3)9-12(11)2)17(20)19-10-13-4-6-14(7-5-13)24(18,21)22/h4-9H,10H2,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyBQHHMGWAVRVXMJ-UHFFFAOYSA-N
XLogP1.89
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 171979954
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
4-methyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-carboxamide
CID 79777228
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 55349817
2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
2-(2-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2965713
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 110761535) is 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide is COc1cc(C)c(C)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is BQHHMGWAVRVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-8-15(16(23-3)9-12(11)2)17(20)19-10-13-4-6-14(7-5-13)24(18,21)22/h4-9H,10H2,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide?
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 348.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 110761535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).