2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide

C14H22N2OS — CID 79141528

IUPAC2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
SMILESCc1ccc(N)cc1SC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H22N2OS/c1-9-6-7-11(15)8-12(9)18-10(2)13(17)16-14(3,4)5/h6-8,10H,15H2,1-5H3,(H,16,17)
InChIKeyIILBFIODSUYERR-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.97
Rot. Bonds3

About 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide

2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide (PubChem CID 79141528) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
PubChem CID79141528
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
SMILESCc1ccc(N)cc1SC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H22N2OS/c1-9-6-7-11(15)8-12(9)18-10(2)13(17)16-14(3,4)5/h6-8,10H,15H2,1-5H3,(H,16,17)
InChIKeyIILBFIODSUYERR-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 79141692
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62028576
2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 43303210
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
2-(2-amino-4-methylphenyl)sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 43302653
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214605

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide (CID 79141528) is 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide is Cc1ccc(N)cc1SC(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide?
The InChIKey is IILBFIODSUYERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-6-7-11(15)8-12(9)18-10(2)13(17)16-14(3,4)5/h6-8,10H,15H2,1-5H3,(H,16,17).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide?
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide has a molecular weight of 266.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide is sourced from PubChem (CID 79141528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).