N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide

C16H18N2O5S — CID 7779984

IUPACN-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C16H18N2O5S/c1-3-23-12-6-4-11(5-7-12)18-16(19)14-10-13(24(17,20)21)8-9-15(14)22-2/h4-10H,3H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyMDUCIDXMMQIUDY-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.99
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide

N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide (PubChem CID 7779984) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
PubChem CID7779984
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1
InChIInChI=1S/C16H18N2O5S/c1-3-23-12-6-4-11(5-7-12)18-16(19)14-10-13(24(17,20)21)8-9-15(14)22-2/h4-10H,3H2,1-2H3,(H,18,19)(H2,17,20,21)
InChIKeyMDUCIDXMMQIUDY-UHFFFAOYSA-N
XLogP1.99
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
2-methoxy-N-[4-(3-methylphenoxy)phenyl]-5-sulfamoylbenzamide
CID 9453672
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide (CID 7779984) is N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide is CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2OC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is MDUCIDXMMQIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-3-23-12-6-4-11(5-7-12)18-16(19)14-10-13(24(17,20)21)8-9-15(14)22-2/h4-10H,3H2,1-2H3,(H,18,19)(H2,17,20,21).
What are the key properties of N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide?
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 350.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 7779984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).