N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide

C24H24N4O5S — CID 21090562

IUPACN'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide
SMILESCc1ccc(NC(=O)C(N)=O)cc1-c1ccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-15-3-10-20(28-24(31)22(25)29)13-21(15)17-6-8-18(9-7-17)23(30)27-19-11-4-16(5-12-19)14-26-34(2,32)33/h3-13,26H,14H2,1-2H3,(H2,25,29)(H,27,30)(H,28,31)
InChIKeyPECNCRJTLRLAEX-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.39
Rot. Bonds7

About N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide

N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide (PubChem CID 21090562) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide.

Molecular Properties

Compound NameN'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide
PubChem CID21090562
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC NameN'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide
SMILESCc1ccc(NC(=O)C(N)=O)cc1-c1ccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-15-3-10-20(28-24(31)22(25)29)13-21(15)17-6-8-18(9-7-17)23(30)27-19-11-4-16(5-12-19)14-26-34(2,32)33/h3-13,26H,14H2,1-2H3,(H2,25,29)(H,27,30)(H,28,31)
InChIKeyPECNCRJTLRLAEX-UHFFFAOYSA-N
XLogP2.39
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
4-(benzylsulfamoyl)-N-(3,4-dimethylphenyl)benzamide
CID 109060594
N-(4-carbamoylphenyl)-4-[(3,4-dimethyl-2-methylsulfonylanilino)methyl]benzamide
CID 22303929
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-(4-aminophenyl)-4-[(2-methylsulfonylethylamino)methyl]benzamide
CID 90104457
N-[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]-4-(5-amino-2-methylphenyl)benzamide
CID 68867201
N-(9H-fluoren-3-yl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 25483410
4-[2-(methanesulfonamido)ethyl]-N-(4-propan-2-ylphenyl)benzamide
CID 27007439
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175

Frequently Asked Questions

What is the IUPAC name of N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide?
The IUPAC name of N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide (CID 21090562) is N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide.
What is the SMILES notation for N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide?
The canonical SMILES for N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide is Cc1ccc(NC(=O)C(N)=O)cc1-c1ccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide?
The InChIKey is PECNCRJTLRLAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-15-3-10-20(28-24(31)22(25)29)13-21(15)17-6-8-18(9-7-17)23(30)27-19-11-4-16(5-12-19)14-26-34(2,32)33/h3-13,26H,14H2,1-2H3,(H2,25,29)(H,27,30)(H,28,31).
What are the key properties of N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide?
N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide has a molecular weight of 480.55 g/mol, XLogP of 2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[4-[[4-(methanesulfonamidomethyl)phenyl]carbamoyl]phenyl]-4-methylphenyl]oxamide is sourced from PubChem (CID 21090562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).