N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide

C16H26N2OS — CID 115581036

IUPACN-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
SMILESCSc1ccc(C(C)NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2OS/c1-11(13-7-9-14(20-6)10-8-13)17-12(2)15(19)18-16(3,4)5/h7-12,17H,1-6H3,(H,18,19)
InChIKeyRSXAECQAPGLBDT-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.36
Rot. Bonds5

About N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide

N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide (PubChem CID 115581036) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
PubChem CID115581036
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide
SMILESCSc1ccc(C(C)NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2OS/c1-11(13-7-9-14(20-6)10-8-13)17-12(2)15(19)18-16(3,4)5/h7-12,17H,1-6H3,(H,18,19)
InChIKeyRSXAECQAPGLBDT-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide
CID 62841877
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
CID 65337707
2-[1-[4-(difluoromethoxy)phenyl]ethylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 112814962
N-tert-butyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361059
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
N-tert-butyl-2-[1-(2,3-difluorophenyl)ethylamino]propanamide
CID 103878479
(2R)-2-amino-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 78971913
2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N-tert-butylpropanamide
CID 115574026

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide (CID 115581036) is N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide is CSc1ccc(C(C)NC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide?
The InChIKey is RSXAECQAPGLBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(13-7-9-14(20-6)10-8-13)17-12(2)15(19)18-16(3,4)5/h7-12,17H,1-6H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide?
N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide has a molecular weight of 294.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(4-methylsulfanylphenyl)ethylamino]propanamide is sourced from PubChem (CID 115581036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).