5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide

C17H25F3N2O4S — CID 20629897

IUPAC5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
SMILESCOc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F
InChIInChI=1S/C17H25F3N2O4S/c1-16(2,3)27(24,25)21-10-6-5-7-15(23)22-12-8-9-13(17(18,19)20)14(11-12)26-4/h8-9,11,21H,5-7,10H2,1-4H3,(H,22,23)
InChIKeyGMMSIVMOWLOWFP-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.54
Rot. Bonds8

About 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide

5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 20629897) has the molecular formula C17H25F3N2O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
PubChem CID20629897
Molecular FormulaC17H25F3N2O4S
Molecular Weight410.46 g/mol
Exact Mass410.15
IUPAC Name5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
SMILESCOc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F
InChIInChI=1S/C17H25F3N2O4S/c1-16(2,3)27(24,25)21-10-6-5-7-15(23)22-12-8-9-13(17(18,19)20)14(11-12)26-4/h8-9,11,21H,5-7,10H2,1-4H3,(H,22,23)
InChIKeyGMMSIVMOWLOWFP-UHFFFAOYSA-N
XLogP3.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide
CID 20629430
N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
CID 20629712
5-(tert-butylsulfonylamino)-N-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
CID 20630752
5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
CID 43470712
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
5-(tert-butylsulfonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 20629413
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
5-(tert-butylsulfonylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 20630720
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide (CID 20629897) is 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide is COc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is GMMSIVMOWLOWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O4S/c1-16(2,3)27(24,25)21-10-6-5-7-15(23)22-12-8-9-13(17(18,19)20)14(11-12)26-4/h8-9,11,21H,5-7,10H2,1-4H3,(H,22,23).
What are the key properties of 5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 410.46 g/mol, XLogP of 3.54, 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-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 20629897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).