5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide

C21H30N2O4S — CID 20630149

IUPAC5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide
SMILESCc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc(-c2ccco2)c1C
InChIInChI=1S/C21H30N2O4S/c1-15-16(2)18(12-11-17(15)19-9-8-14-27-19)23-20(24)10-6-7-13-22-28(25,26)21(3,4)5/h8-9,11-12,14,22H,6-7,10,13H2,1-5H3,(H,23,24)
InChIKeyFNAOPNBQVUMEHO-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.39
Rot. Bonds8

About 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide

5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide (PubChem CID 20630149) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide
PubChem CID20630149
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC Name5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide
SMILESCc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc(-c2ccco2)c1C
InChIInChI=1S/C21H30N2O4S/c1-15-16(2)18(12-11-17(15)19-9-8-14-27-19)23-20(24)10-6-7-13-22-28(25,26)21(3,4)5/h8-9,11-12,14,22H,6-7,10,13H2,1-5H3,(H,23,24)
InChIKeyFNAOPNBQVUMEHO-UHFFFAOYSA-N
XLogP4.39
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
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-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide
CID 20629430
5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
5-(tert-butylsulfonylamino)-N-(2-hydroxy-5-methyl-2H-chromen-6-yl)pentanamide
CID 20629546
N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
CID 20629712
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
N-[4-(furan-2-yl)-2,3-dimethylphenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630144
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
CID 20629897
2-(dimethylamino)-N-[2-(furan-2-yl)phenyl]acetamide
CID 168524936
N-(4-butoxy-6-methylpyrimidin-2-yl)-5-(tert-butylsulfonylamino)pentanamide
CID 20630433
5-oxo-5-(2,3,4-trimethylanilino)pentanoic acid
CID 115163822
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide (CID 20630149) is 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide is Cc1c(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc(-c2ccco2)c1C.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide?
The InChIKey is FNAOPNBQVUMEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-15-16(2)18(12-11-17(15)19-9-8-14-27-19)23-20(24)10-6-7-13-22-28(25,26)21(3,4)5/h8-9,11-12,14,22H,6-7,10,13H2,1-5H3,(H,23,24).
What are the key properties of 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide has a molecular weight of 406.55 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfonylamino)-N-[4-(furan-2-yl)-2,3-dimethylphenyl]pentanamide is sourced from PubChem (CID 20630149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).