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

C16H27ClN2OS — CID 120561921

IUPAC4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-11-10-13(20-16(3,4)5)7-8-14(11)18-15(19)9-6-12(2)17;/h7-8,10,12H,6,9,17H2,1-5H3,(H,18,19);1H
InChIKeyFBTJEJBBYFXVKN-UHFFFAOYSA-N
MW330.93 g/mol
LogP4.37
Rot. Bonds5

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

4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride (PubChem CID 120561921) has the molecular formula C16H27ClN2OS and a molecular weight of 330.93 g/mol. Its IUPAC name is 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
PubChem CID120561921
Molecular FormulaC16H27ClN2OS
Molecular Weight330.93 g/mol
Exact Mass330.15
IUPAC Name4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
SMILESCc1cc(SC(C)(C)C)ccc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C16H26N2OS.ClH/c1-11-10-13(20-16(3,4)5)7-8-14(11)18-15(19)9-6-12(2)17;/h7-8,10,12H,6,9,17H2,1-5H3,(H,18,19);1H
InChIKeyFBTJEJBBYFXVKN-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.93
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)butanamide
CID 119765612
4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561649
2-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide
CID 119313181
4-amino-N-[2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pentanamide;hydrochloride
CID 120561971
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
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-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
3-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)benzamide;hydrochloride
CID 119765605

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride (CID 120561921) is 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride is Cc1cc(SC(C)(C)C)ccc1NC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
The InChIKey is FBTJEJBBYFXVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS.ClH/c1-11-10-13(20-16(3,4)5)7-8-14(11)18-15(19)9-6-12(2)17;/h7-8,10,12H,6,9,17H2,1-5H3,(H,18,19);1H.
What are the key properties of 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride?
4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride has a molecular weight of 330.93 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-tert-butylsulfanyl-2-methylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120561921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).