N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide

C21H21N3O3S — CID 112988408

IUPACN-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-5-3-4-6-21(15)28(26,27)24-20-13-11-19(12-14-20)23-18-9-7-17(8-10-18)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25)
InChIKeyBTSZSBSENGYEIV-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.50
Rot. Bonds6

About N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide

N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide (PubChem CID 112988408) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
PubChem CID112988408
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-5-3-4-6-21(15)28(26,27)24-20-13-11-19(12-14-20)23-18-9-7-17(8-10-18)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25)
InChIKeyBTSZSBSENGYEIV-UHFFFAOYSA-N
XLogP4.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-phenylbenzenesulfonamide
CID 3017048
N-[2-[(2-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093732
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
2-methyl-N-(4-propylphenyl)benzenesulfonamide
CID 62999654
2-methyl-N-[4-methyl-3-[(2-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 990525
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
N-(3-amino-4-methylphenyl)-2-methylbenzenesulfonamide
CID 39375386
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
N-(4-acetylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112999662

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide?
The IUPAC name of N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide (CID 112988408) is N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3C)cc2)cc1.
What is the InChIKey of N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide?
The InChIKey is BTSZSBSENGYEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-5-3-4-6-21(15)28(26,27)24-20-13-11-19(12-14-20)23-18-9-7-17(8-10-18)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25).
What are the key properties of N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide?
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide is sourced from PubChem (CID 112988408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).