4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide

C27H30N2O4S — CID 100535416

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)cc1
InChIInChI=1S/C27H30N2O4S/c1-21-8-14-25(15-9-21)34(31,32)29(2)24-12-10-22(11-13-24)26(30)28-20-27(16-18-33-19-17-27)23-6-4-3-5-7-23/h3-15H,16-20H2,1-2H3,(H,28,30)
InChIKeyPGZFKHIFRFQLFB-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.30
Rot. Bonds7

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 100535416) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID100535416
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)cc1
InChIInChI=1S/C27H30N2O4S/c1-21-8-14-25(15-9-21)34(31,32)29(2)24-12-10-22(11-13-24)26(30)28-20-27(16-18-33-19-17-27)23-6-4-3-5-7-23/h3-15H,16-20H2,1-2H3,(H,28,30)
InChIKeyPGZFKHIFRFQLFB-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[methyl(methylsulfonyl)amino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100653623
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16581101
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 60573422
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 989154
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 41378820
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 126190223

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 100535416) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is PGZFKHIFRFQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-21-8-14-25(15-9-21)34(31,32)29(2)24-12-10-22(11-13-24)26(30)28-20-27(16-18-33-19-17-27)23-6-4-3-5-7-23/h3-15H,16-20H2,1-2H3,(H,28,30).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 478.61 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 100535416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).