N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide

C23H24N2O4S — CID 55945032

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-16(2)29-20-11-14-22(17(3)15-20)24-23(26)18-9-12-21(13-10-18)30(27,28)25-19-7-5-4-6-8-19/h4-16,25H,1-3H3,(H,24,26)
InChIKeyYCYOENMBGKRMIB-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.84
Rot. Bonds7

About N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide

N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 55945032) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
PubChem CID55945032
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-16(2)29-20-11-14-22(17(3)15-20)24-23(26)18-9-12-21(13-10-18)30(27,28)25-19-7-5-4-6-8-19/h4-16,25H,1-3H3,(H,24,26)
InChIKeyYCYOENMBGKRMIB-UHFFFAOYSA-N
XLogP4.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945307
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
[4-[(2-methyl-4-propan-2-yloxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate
CID 55887041
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide (CID 55945032) is N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide is Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is YCYOENMBGKRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-16(2)29-20-11-14-22(17(3)15-20)24-23(26)18-9-12-21(13-10-18)30(27,28)25-19-7-5-4-6-8-19/h4-16,25H,1-3H3,(H,24,26).
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide?
N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 424.52 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 55945032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).