2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide

C18H22N2OS — CID 18894207

IUPAC2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Sc1cccc(N)c1
InChIInChI=1S/C18H22N2OS/c1-4-14-8-5-7-12(2)17(14)20-18(21)13(3)22-16-10-6-9-15(19)11-16/h5-11,13H,4,19H2,1-3H3,(H,20,21)
InChIKeyZERTUIIHYSHSFC-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.26
Rot. Bonds5

About 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide

2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 18894207) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID18894207
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)Sc1cccc(N)c1
InChIInChI=1S/C18H22N2OS/c1-4-14-8-5-7-12(2)17(14)20-18(21)13(3)22-16-10-6-9-15(19)11-16/h5-11,13H,4,19H2,1-3H3,(H,20,21)
InChIKeyZERTUIIHYSHSFC-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.26
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

N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide
CID 18902989
2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 18894186
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
2-[[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895585
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609
N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903277
2-(3-aminophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79133388
3-chloro-N-[4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 22782877
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
(2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide
CID 7743336
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23801598

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide (CID 18894207) is 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide is CCc1cccc(C)c1NC(=O)C(C)Sc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is ZERTUIIHYSHSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-4-14-8-5-7-12(2)17(14)20-18(21)13(3)22-16-10-6-9-15(19)11-16/h5-11,13H,4,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide?
2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 314.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 18894207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).