N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide

C23H22N6O5S — CID 4968506

IUPACN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(-n4cnnn4)c3)ccc2OC)cc1
InChIInChI=1S/C23H22N6O5S/c1-3-34-20-10-7-17(8-11-20)26-35(31,32)22-14-18(9-12-21(22)33-2)25-23(30)16-5-4-6-19(13-16)29-15-24-27-28-29/h4-15,26H,3H2,1-2H3,(H,25,30)
InChIKeyIYLXRPOJIDMCMG-UHFFFAOYSA-N
MW494.53 g/mol
LogP3.12
Rot. Bonds9

About N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 4968506) has the molecular formula C23H22N6O5S and a molecular weight of 494.53 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
PubChem CID4968506
Molecular FormulaC23H22N6O5S
Molecular Weight494.53 g/mol
Exact Mass494.14
IUPAC NameN-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(-n4cnnn4)c3)ccc2OC)cc1
InChIInChI=1S/C23H22N6O5S/c1-3-34-20-10-7-17(8-11-20)26-35(31,32)22-14-18(9-12-21(22)33-2)25-23(30)16-5-4-6-19(13-16)29-15-24-27-28-29/h4-15,26H,3H2,1-2H3,(H,25,30)
InChIKeyIYLXRPOJIDMCMG-UHFFFAOYSA-N
XLogP3.12
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(tetrazol-1-yl)benzamide
CID 55982018
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
4-(4-ethoxyphenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 4851333
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 8883299

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide (CID 4968506) is N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(-n4cnnn4)c3)ccc2OC)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is IYLXRPOJIDMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O5S/c1-3-34-20-10-7-17(8-11-20)26-35(31,32)22-14-18(9-12-21(22)33-2)25-23(30)16-5-4-6-19(13-16)29-15-24-27-28-29/h4-15,26H,3H2,1-2H3,(H,25,30).
What are the key properties of N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide?
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 494.53 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4968506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).