5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide

C20H33N3O4S — CID 58958265

IUPAC5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O4S/c1-19(2,3)18(25)23-16-12-10-15(11-13-16)22-17(24)9-7-8-14-21-28(26,27)20(4,5)6/h10-13,21H,7-9,14H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyVRVSBNDIMLUZLL-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.50
Rot. Bonds8

About 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide

5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide (PubChem CID 58958265) has the molecular formula C20H33N3O4S and a molecular weight of 411.57 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
PubChem CID58958265
Molecular FormulaC20H33N3O4S
Molecular Weight411.57 g/mol
Exact Mass411.22
IUPAC Name5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H33N3O4S/c1-19(2,3)18(25)23-16-12-10-15(11-13-16)22-17(24)9-7-8-14-21-28(26,27)20(4,5)6/h10-13,21H,7-9,14H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyVRVSBNDIMLUZLL-UHFFFAOYSA-N
XLogP3.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
CID 20630752
N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
CID 20629712
5-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 20630720
5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
CID 20629897
5-(tert-butylsulfonylamino)-N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]pentanamide
CID 20630295
5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide
CID 20629430
N-(4-butylphenyl)-5-(tert-butylsulfonylamino)pentanethioamide
CID 20630491
2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
CID 24647281
disodium 4-{[6-oxo-6-(4-sulfonothioatoanilino)hexanoyl]amino}benzenesulfonothioate
CID 126960837
N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide (CID 58958265) is 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide is CC(C)(C)C(=O)Nc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide?
The InChIKey is VRVSBNDIMLUZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O4S/c1-19(2,3)18(25)23-16-12-10-15(11-13-16)22-17(24)9-7-8-14-21-28(26,27)20(4,5)6/h10-13,21H,7-9,14H2,1-6H3,(H,22,24)(H,23,25).
What are the key properties of 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide has a molecular weight of 411.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide is sourced from PubChem (CID 58958265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).