N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C22H30N2O3S — CID 100796411

IUPACN-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)CNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)17-23-21(25)14-11-19-9-12-20(13-10-19)28(26,27)24-16-15-18-7-5-4-6-8-18/h4-10,12-13,24H,11,14-17H2,1-3H3,(H,23,25)
InChIKeyDXTPEYVJGYNEJU-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.30
Rot. Bonds9

About N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 100796411) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID100796411
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)CNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)17-23-21(25)14-11-19-9-12-20(13-10-19)28(26,27)24-16-15-18-7-5-4-6-8-18/h4-10,12-13,24H,11,14-17H2,1-3H3,(H,23,25)
InChIKeyDXTPEYVJGYNEJU-UHFFFAOYSA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704
N-(2-amino-2-methylpropyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119629648
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
3-[4-(benzylsulfamoyl)phenyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 126257588
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 100796411) is N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is CC(C)(C)CNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is DXTPEYVJGYNEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-22(2,3)17-23-21(25)14-11-19-9-12-20(13-10-19)28(26,27)24-16-15-18-7-5-4-6-8-18/h4-10,12-13,24H,11,14-17H2,1-3H3,(H,23,25).
What are the key properties of N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 402.56 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 100796411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).