N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide

C21H26N2O3S — CID 33315785

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)19-12-10-17(11-13-19)16-22-20(24)21(14-15-21)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyWVPWVMZMSFPIMN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.07
Rot. Bonds8

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 33315785) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID33315785
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)19-12-10-17(11-13-19)16-22-20(24)21(14-15-21)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyWVPWVMZMSFPIMN-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 47731867
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
CID 34833770
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylacetamide
CID 119272071
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120587270
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide (CID 33315785) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is WVPWVMZMSFPIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)19-12-10-17(11-13-19)16-22-20(24)21(14-15-21)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 33315785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).