3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide

C15H24N2OS — CID 119765612

IUPAC3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)CC(C)N
InChIInChI=1S/C15H24N2OS/c1-10-8-12(19-15(3,4)5)6-7-13(10)17-14(18)9-11(2)16/h6-8,11H,9,16H2,1-5H3,(H,17,18)
InChIKeyITEHANRPNBOSFP-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.56
Rot. Bonds4

About 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide

3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide (PubChem CID 119765612) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
PubChem CID119765612
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)CC(C)N
InChIInChI=1S/C15H24N2OS/c1-10-8-12(19-15(3,4)5)6-7-13(10)17-14(18)9-11(2)16/h6-8,11H,9,16H2,1-5H3,(H,17,18)
InChIKeyITEHANRPNBOSFP-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561921
3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
3-amino-N-(4-bromo-2-methylphenyl)butanamide;hydrochloride
CID 119682559
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754817
1-(4-tert-butylsulfanyl-2-methylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 111976910
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431587
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
3-(4-tert-butylsulfanyl-2-methylphenyl)-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859220
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride
CID 119765605
3-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119399933

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide?
The IUPAC name of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide (CID 119765612) is 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide is Cc1cc(SC(C)(C)C)ccc1NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide?
The InChIKey is ITEHANRPNBOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10-8-12(19-15(3,4)5)6-7-13(10)17-14(18)9-11(2)16/h6-8,11H,9,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide?
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide has a molecular weight of 280.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide is sourced from PubChem (CID 119765612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).