3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

C23H24N2O4S — CID 130431443

IUPAC3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H24N2O4S/c1-17-6-12-22(13-7-17)30(27,28)25-16-19-10-8-18(9-11-19)15-24-23(26)20-4-3-5-21(14-20)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyWUYFUNGPFPVPIZ-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.41
Rot. Bonds8

About 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide

3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (PubChem CID 130431443) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
PubChem CID130431443
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)c1
InChIInChI=1S/C23H24N2O4S/c1-17-6-12-22(13-7-17)30(27,28)25-16-19-10-8-18(9-11-19)15-24-23(26)20-4-3-5-21(14-20)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26)
InChIKeyWUYFUNGPFPVPIZ-UHFFFAOYSA-N
XLogP3.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyprosulfamide
CID 11707647
3-Hydroxy-N-[(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]benzamide
CID 44581950
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methoxy-benzamide
CID 130431447
p-(2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)benzenesulphonamide
CID 118080
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-Sulfamoylbenzamide
CID 21806575
N1,N3-bis(3-methoxybenzyl)isophthalamide
CID 10111838
N-[(2s,3r)-4-{(Cyclohexylmethyl)[(4-Methoxyphenyl)sulfonyl]amino}-3-Hydroxy-1-Phenylbutan-2-Yl]-3-Hydroxybenzamide
CID 56973522
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
3-hydroxy-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-[(2R)-2-methylbutyl]amino]-1-phenylbutan-2-yl]benzamide
CID 44581977
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
CID 155518093
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide (CID 130431443) is 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is COc1cccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
The InChIKey is WUYFUNGPFPVPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-17-6-12-22(13-7-17)30(27,28)25-16-19-10-8-18(9-11-19)15-24-23(26)20-4-3-5-21(14-20)29-2/h3-14,25H,15-16H2,1-2H3,(H,24,26).
What are the key properties of 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide?
3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 130431443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).