2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide

C13H20N2OS — CID 43303210

IUPAC2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1ccc(N)cc1C
InChIInChI=1S/C13H20N2OS/c1-4-7-15-13(16)10(3)17-12-6-5-11(14)8-9(12)2/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyICGPXCHZSRGOHR-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide

2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide (PubChem CID 43303210) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
PubChem CID43303210
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1ccc(N)cc1C
InChIInChI=1S/C13H20N2OS/c1-4-7-15-13(16)10(3)17-12-6-5-11(14)8-9(12)2/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16)
InChIKeyICGPXCHZSRGOHR-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.58
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-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
CID 79141528
2-(4-amino-2-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43305444
2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 43305446
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide
CID 43303052
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
2-(4-amino-2-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81184621
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
CID 79527884

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide?
The IUPAC name of 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide (CID 43303210) is 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide?
The canonical SMILES for 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide is CCCNC(=O)C(C)Sc1ccc(N)cc1C.
What is the InChIKey of 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide?
The InChIKey is ICGPXCHZSRGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-7-15-13(16)10(3)17-12-6-5-11(14)8-9(12)2/h5-6,8,10H,4,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide?
2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide has a molecular weight of 252.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide is sourced from PubChem (CID 43303210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).