2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide

C16H26N2OS — CID 119313181

IUPAC2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(SC(C)(C)C)cc1C
InChIInChI=1S/C16H26N2OS/c1-6-7-13(17)15(19)18-14-9-8-12(10-11(14)2)20-16(3,4)5/h8-10,13H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyGVXDCLMJMZPQKJ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.95
Rot. Bonds5

About 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide

2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide (PubChem CID 119313181) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
PubChem CID119313181
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(SC(C)(C)C)cc1C
InChIInChI=1S/C16H26N2OS/c1-6-7-13(17)15(19)18-14-9-8-12(10-11(14)2)20-16(3,4)5/h8-10,13H,6-7,17H2,1-5H3,(H,18,19)
InChIKeyGVXDCLMJMZPQKJ-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride
CID 119315516
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561921
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
CID 119765612
methyl 4-[[(2S)-2-aminopentanoyl]amino]-3-methylbenzoate
CID 107568716
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976910
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754817
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide?
The IUPAC name of 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide (CID 119313181) is 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide is CCCC(N)C(=O)Nc1ccc(SC(C)(C)C)cc1C.
What is the InChIKey of 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide?
The InChIKey is GVXDCLMJMZPQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-6-7-13(17)15(19)18-14-9-8-12(10-11(14)2)20-16(3,4)5/h8-10,13H,6-7,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide?
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide has a molecular weight of 294.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide is sourced from PubChem (CID 119313181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).