4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide

C21H26N2O3S — CID 41288116

IUPAC4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)19-12-10-17(11-13-19)20(24)22-16-21(14-15-21)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyBUFWAUZZXAXGSY-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.18
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide

4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 41288116) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID41288116
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)19-12-10-17(11-13-19)20(24)22-16-21(14-15-21)18-8-6-5-7-9-18/h5-13H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyBUFWAUZZXAXGSY-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145597
5-(diethylsulfamoyl)-2-fluoro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 46424060
1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544176
4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179080
4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 16602020
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100535416
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46462402
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-[(4-methylphenyl)sulfamoyl]-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16581101
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 33315785
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 41288116) is 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is BUFWAUZZXAXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-23(4-2)27(25,26)19-12-10-17(11-13-19)20(24)22-16-21(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 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide?
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 41288116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).