2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide

C18H24N2O2S — CID 131902191

IUPAC2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
SMILESCCC(NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C18H24N2O2S/c1-5-15(16-7-6-12-23-16)19-17(21)18(2,3)20-13-8-10-14(22-4)11-9-13/h6-12,15,20H,5H2,1-4H3,(H,19,21)
InChIKeyFHZUMSIMDLGVHW-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.21
Rot. Bonds7

About 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide

2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide (PubChem CID 131902191) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
PubChem CID131902191
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
SMILESCCC(NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1cccs1
InChIInChI=1S/C18H24N2O2S/c1-5-15(16-7-6-12-23-16)19-17(21)18(2,3)20-13-8-10-14(22-4)11-9-13/h6-12,15,20H,5H2,1-4H3,(H,19,21)
InChIKeyFHZUMSIMDLGVHW-UHFFFAOYSA-N
XLogP4.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyanilino)-N-(1-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
CID 131949619
2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 62733543
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
dimethyl 2-[(2S)-2-(4-methoxyanilino)-2-thiophen-2-ylethyl]propanedioate
CID 146167349
4-methoxy-2-(1-thiophen-2-ylpropylamino)benzoic acid
CID 81304393
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2,2-dimethyl-4-oxo-4-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 65299793
N-[2-methoxy-4-(1-thiophen-2-ylpropylamino)phenyl]acetamide
CID 43672924

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide?
The IUPAC name of 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide (CID 131902191) is 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide?
The canonical SMILES for 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide is CCC(NC(=O)C(C)(C)Nc1ccc(OC)cc1)c1cccs1.
What is the InChIKey of 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide?
The InChIKey is FHZUMSIMDLGVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-5-15(16-7-6-12-23-16)19-17(21)18(2,3)20-13-8-10-14(22-4)11-9-13/h6-12,15,20H,5H2,1-4H3,(H,19,21).
What are the key properties of 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide?
2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-2-methyl-N-(1-thiophen-2-ylpropyl)propanamide is sourced from PubChem (CID 131902191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).