2-(4-aminophenyl)sulfanyl-N-ethylpropanamide

C11H16N2OS — CID 43299394

IUPAC2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-3-13-11(14)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyZYSMFKFAHXZSNZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.89
Rot. Bonds4

About 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide

2-(4-aminophenyl)sulfanyl-N-ethylpropanamide (PubChem CID 43299394) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
PubChem CID43299394
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1ccc(N)cc1
InChIInChI=1S/C11H16N2OS/c1-3-13-11(14)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyZYSMFKFAHXZSNZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.89
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

(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 43299407
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 79133360
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-ethylpropanamide
CID 60665444
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
N-ethyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66348230
N-(ethylcarbamoyl)-2-(4-methylsulfonylphenyl)sulfanylpropanamide
CID 56822525

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide (CID 43299394) is 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide is CCNC(=O)C(C)Sc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
The InChIKey is ZYSMFKFAHXZSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-13-11(14)8(2)15-10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide?
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide has a molecular weight of 224.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 43299394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).