N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide

C18H21N3O3S — CID 51116324

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC2c2ccccc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-20(2)25(23,24)16-10-8-15(9-11-16)19-18(22)21-13-12-17(21)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,19,22)
InChIKeyYBNKJXXQYCDCML-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.92
Rot. Bonds4

About N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide (PubChem CID 51116324) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide
PubChem CID51116324
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC2c2ccccc2)cc1
InChIInChI=1S/C18H21N3O3S/c1-20(2)25(23,24)16-10-8-15(9-11-16)19-18(22)21-13-12-17(21)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,19,22)
InChIKeyYBNKJXXQYCDCML-UHFFFAOYSA-N
XLogP2.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium
CID 177027285
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423
4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 42934686
(2R)-4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 41484317
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 55697597
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3289813
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2484554
(2S)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-phenylazetidine-1-carboxamide
CID 94181192
2-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3947885
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 2082856

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide (CID 51116324) is N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC2c2ccccc2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide?
The InChIKey is YBNKJXXQYCDCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-20(2)25(23,24)16-10-8-15(9-11-16)19-18(22)21-13-12-17(21)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 51116324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).