N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide

C16H24N2O3S — CID 8820497

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-18(4-2)22(20,21)15-10-8-13(9-11-15)12-17-16(19)14-6-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyGXPNAOVDICWBPF-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.13
Rot. Bonds7

About N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide (PubChem CID 8820497) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
PubChem CID8820497
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-3-18(4-2)22(20,21)15-10-8-13(9-11-15)12-17-16(19)14-6-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyGXPNAOVDICWBPF-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17484027
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea
CID 9283585
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55487784
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 28562303
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337
(2S,3S)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51862144

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide (CID 8820497) is N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCC2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide?
The InChIKey is GXPNAOVDICWBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-18(4-2)22(20,21)15-10-8-13(9-11-15)12-17-16(19)14-6-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,17,19).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.13, 7 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]cyclobutanecarboxamide is sourced from PubChem (CID 8820497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).