2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide

C21H20N2O5S — CID 9453672

IUPAC2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H20N2O5S/c1-14-4-3-5-17(12-14)28-16-8-6-15(7-9-16)23-21(24)19-13-18(29(22,25)26)10-11-20(19)27-2/h3-13H,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyJTNNOWZXVSVOGE-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.70
Rot. Bonds6

About 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide

2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide (PubChem CID 9453672) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
PubChem CID9453672
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C21H20N2O5S/c1-14-4-3-5-17(12-14)28-16-8-6-15(7-9-16)23-21(24)19-13-18(29(22,25)26)10-11-20(19)27-2/h3-13H,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyJTNNOWZXVSVOGE-UHFFFAOYSA-N
XLogP3.70
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 7603354
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide (CID 9453672) is 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide?
The InChIKey is JTNNOWZXVSVOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-14-4-3-5-17(12-14)28-16-8-6-15(7-9-16)23-21(24)19-13-18(29(22,25)26)10-11-20(19)27-2/h3-13H,1-2H3,(H,23,24)(H2,22,25,26).
What are the key properties of 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide?
2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide has a molecular weight of 412.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 9453672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).