3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide

C22H30N2O3S — CID 35806909

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)19-11-13-20(14-12-19)28(26,27)24-17-15-21(25)23-16-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,24H,7,10,15-17H2,1-3H3,(H,23,25)
InChIKeyZVKGFHXQYWGCRK-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.40
Rot. Bonds9

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide (PubChem CID 35806909) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
PubChem CID35806909
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O3S/c1-22(2,3)19-11-13-20(14-12-19)28(26,27)24-17-15-21(25)23-16-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,24H,7,10,15-17H2,1-3H3,(H,23,25)
InChIKeyZVKGFHXQYWGCRK-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806518
3-[(4-tert-butylphenyl)sulfonylamino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558538
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 24536886
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
N-[2-[2-[(4-tert-butylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571276

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide (CID 35806909) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
The InChIKey is ZVKGFHXQYWGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-22(2,3)19-11-13-20(14-12-19)28(26,27)24-17-15-21(25)23-16-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,24H,7,10,15-17H2,1-3H3,(H,23,25).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide has a molecular weight of 402.56 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 35806909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).