N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide

C22H22N2O3S — CID 78686932

IUPACN-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-8-10-19(11-9-16)22(18-6-4-3-5-7-18)24-28(26,27)21-14-12-20(13-15-21)23-17(2)25/h3-15,22,24H,1-2H3,(H,23,25)
InChIKeyYNEPRWGNPDJYLC-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.02
Rot. Bonds6

About N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide

N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide (PubChem CID 78686932) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
PubChem CID78686932
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3S/c1-16-8-10-19(11-9-16)22(18-6-4-3-5-7-18)24-28(26,27)21-14-12-20(13-15-21)23-17(2)25/h3-15,22,24H,1-2H3,(H,23,25)
InChIKeyYNEPRWGNPDJYLC-UHFFFAOYSA-N
XLogP4.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-2-phenylacetate
CID 6942072
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 2459105
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
methyl 2-methyl-5-[[(R)-(4-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100570774

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide (CID 78686932) is N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is YNEPRWGNPDJYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16-8-10-19(11-9-16)22(18-6-4-3-5-7-18)24-28(26,27)21-14-12-20(13-15-21)23-17(2)25/h3-15,22,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 394.50 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 78686932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).