4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide

C25H26N2O3S — CID 16581101

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-8-12-22(13-9-19)27-31(29,30)23-14-10-20(11-15-23)24(28)26-18-25(16-5-17-25)21-6-3-2-4-7-21/h2-4,6-15,27H,5,16-18H2,1H3,(H,26,28)
InChIKeyNVOBONKNGKXHIZ-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.65
Rot. Bonds7

About 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide

4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide (PubChem CID 16581101) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
PubChem CID16581101
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-8-12-22(13-9-19)27-31(29,30)23-14-10-20(11-15-23)24(28)26-18-25(16-5-17-25)21-6-3-2-4-7-21/h2-4,6-15,27H,5,16-18H2,1H3,(H,26,28)
InChIKeyNVOBONKNGKXHIZ-UHFFFAOYSA-N
XLogP4.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 60573422
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 55735491
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46462402
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100535416
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 24614531
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide (CID 16581101) is 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCC3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide?
The InChIKey is NVOBONKNGKXHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-19-8-12-22(13-9-19)27-31(29,30)23-14-10-20(11-15-23)24(28)26-18-25(16-5-17-25)21-6-3-2-4-7-21/h2-4,6-15,27H,5,16-18H2,1H3,(H,26,28).
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide has a molecular weight of 434.56 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 16581101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).