3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide

C21H28N2O4S — CID 43021239

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC)ccc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-21(4,5)22-20(24)16-9-8-15(3)19(14-16)28(25,26)23-17-10-12-18(13-11-17)27-7-2/h8-14,23H,6-7H2,1-5H3,(H,22,24)
InChIKeyYUNVZGCIRNICOG-UHFFFAOYSA-N
MW404.53 g/mol
LogP4.11
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide

3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 43021239) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID43021239
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC)ccc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-6-21(4,5)22-20(24)16-9-8-15(3)19(14-16)28(25,26)23-17-10-12-18(13-11-17)27-7-2/h8-14,23H,6-7H2,1-5H3,(H,22,24)
InChIKeyYUNVZGCIRNICOG-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-prop-2-enylbenzamide
CID 35154636
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26852105
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92684677
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2608068
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]thiophene-3-carboxamide
CID 30484505
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide (CID 43021239) is 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide is CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC)ccc2C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is YUNVZGCIRNICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-6-21(4,5)22-20(24)16-9-8-15(3)19(14-16)28(25,26)23-17-10-12-18(13-11-17)27-7-2/h8-14,23H,6-7H2,1-5H3,(H,22,24).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide?
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43021239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).