2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide

C12H18N2O2S — CID 43299407

IUPAC2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Sc1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(12(15)14-7-8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeySXJHICSFWJESFP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.51
Rot. Bonds6

About 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide

2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide (PubChem CID 43299407) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
PubChem CID43299407
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Sc1ccc(N)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(12(15)14-7-8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeySXJHICSFWJESFP-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
(2S)-N-(2-methoxyethyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957294
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-chlorophenyl)sulfanyl-N-(2-methoxyethoxy)propanamide
CID 79676327
2-(4-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 19317772
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
2-(4-aminophenyl)sulfanyl-N-cyclopropylpropanamide
CID 19317735
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide (CID 43299407) is 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Sc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
The InChIKey is SXJHICSFWJESFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(12(15)14-7-8-16-2)17-11-5-3-10(13)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide?
2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide has a molecular weight of 254.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43299407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).