N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide

C21H21N3O3S — CID 112986001

IUPACN-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-4-3-5-20(14-15)23-18-6-8-19(9-7-18)24-28(26,27)21-12-10-17(11-13-21)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25)
InChIKeyGUYJFAWIKIOGKS-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.50
Rot. Bonds6

About N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 112986001) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID112986001
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-4-3-5-20(14-15)23-18-6-8-19(9-7-18)24-28(26,27)21-12-10-17(11-13-21)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25)
InChIKeyGUYJFAWIKIOGKS-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

4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
CID 20705319
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
N-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 108783814
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
N-[4-[[3-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 47784079
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide (CID 112986001) is N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is GUYJFAWIKIOGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-4-3-5-20(14-15)23-18-6-8-19(9-7-18)24-28(26,27)21-12-10-17(11-13-21)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25).
What are the key properties of N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]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-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 112986001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).