5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide

C19H32N2O4S — CID 20630752

IUPAC5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
SMILESCC(C)(C)Oc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H32N2O4S/c1-18(2,3)25-16-12-10-15(11-13-16)21-17(22)9-7-8-14-20-26(23,24)19(4,5)6/h10-13,20H,7-9,14H2,1-6H3,(H,21,22)
InChIKeyYRAVTDWWXSGQCW-UHFFFAOYSA-N
MW384.54 g/mol
LogP3.69
Rot. Bonds8

About 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide

5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide (PubChem CID 20630752) has the molecular formula C19H32N2O4S and a molecular weight of 384.54 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide.

Molecular Properties

Compound Name5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
PubChem CID20630752
Molecular FormulaC19H32N2O4S
Molecular Weight384.54 g/mol
Exact Mass384.21
IUPAC Name5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
SMILESCC(C)(C)Oc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H32N2O4S/c1-18(2,3)25-16-12-10-15(11-13-16)21-17(22)9-7-8-14-20-26(23,24)19(4,5)6/h10-13,20H,7-9,14H2,1-6H3,(H,21,22)
InChIKeyYRAVTDWWXSGQCW-UHFFFAOYSA-N
XLogP3.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.69
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-[4-(2,2-dimethylpropanoylamino)phenyl]pentanamide
CID 58958265
5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
N-(3-acetamidophenyl)-5-(tert-butylsulfonylamino)pentanamide
CID 20629712
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
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
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
5-(tert-butylsulfonylamino)-N-[2,3-dimethyl-4-(trifluoromethyl)phenyl]pentanamide
CID 20629430
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide?
The IUPAC name of 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide (CID 20630752) is 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide.
What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide?
The canonical SMILES for 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide is CC(C)(C)Oc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide?
The InChIKey is YRAVTDWWXSGQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4S/c1-18(2,3)25-16-12-10-15(11-13-16)21-17(22)9-7-8-14-20-26(23,24)19(4,5)6/h10-13,20H,7-9,14H2,1-6H3,(H,21,22).
What are the key properties of 5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide?
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide has a molecular weight of 384.54 g/mol, XLogP of 3.69, 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-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide is sourced from PubChem (CID 20630752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).