N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide

C21H20N2O4S — CID 20705319

IUPACN-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-4-3-5-18(14-15)23-28(25,26)21-12-10-20(11-13-21)27-19-8-6-17(7-9-19)22-16(2)24/h3-14,23H,1-2H3,(H,22,24)
InChIKeyKKIUMLQOYFKFDU-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.55
Rot. Bonds6

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

N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide (PubChem CID 20705319) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
PubChem CID20705319
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-15-4-3-5-18(14-15)23-28(25,26)21-12-10-20(11-13-21)27-19-8-6-17(7-9-19)22-16(2)24/h3-14,23H,1-2H3,(H,22,24)
InChIKeyKKIUMLQOYFKFDU-UHFFFAOYSA-N
XLogP4.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
N-(4-ethylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3889761
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
[4-[(3-methylphenyl)sulfamoyl]phenyl] 4-methylbenzenesulfonate
CID 20705329
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
CID 47062658
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide (CID 20705319) is N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide?
The InChIKey is KKIUMLQOYFKFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-15-4-3-5-18(14-15)23-28(25,26)21-12-10-20(11-13-21)27-19-8-6-17(7-9-19)22-16(2)24/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide?
N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3-methylphenyl)sulfamoyl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 20705319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).