2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

C19H24N2OS — CID 78841830

IUPAC2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)C(C)Nc1cccc(CC)c1
InChIInChI=1S/C19H24N2OS/c1-4-11-21(14-18-10-7-12-23-18)19(22)15(3)20-17-9-6-8-16(5-2)13-17/h4,6-10,12-13,15,20H,1,5,11,14H2,2-3H3
InChIKeyDYAXBEISRVYLRQ-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.33
Rot. Bonds8

About 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide

2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 78841830) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID78841830
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC=CCN(Cc1cccs1)C(=O)C(C)Nc1cccc(CC)c1
InChIInChI=1S/C19H24N2OS/c1-4-11-21(14-18-10-7-12-23-18)19(22)15(3)20-17-9-6-8-16(5-2)13-17/h4,6-10,12-13,15,20H,1,5,11,14H2,2-3H3
InChIKeyDYAXBEISRVYLRQ-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 78842146
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
3-[[3-(2-methylpropoxy)phenyl]methyl]-1-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 60580734
N-benzyl-2-[phenylcarbamoyl(prop-2-enyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3995842
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907626
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3466924
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083698

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide (CID 78841830) is 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is C=CCN(Cc1cccs1)C(=O)C(C)Nc1cccc(CC)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is DYAXBEISRVYLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-4-11-21(14-18-10-7-12-23-18)19(22)15(3)20-17-9-6-8-16(5-2)13-17/h4,6-10,12-13,15,20H,1,5,11,14H2,2-3H3.
What are the key properties of 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide?
2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 328.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylanilino)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 78841830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).