3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide

C15H18N2OS — CID 54905173

IUPAC3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H18N2OS/c1-17(10-13-8-9-19-11-13)15(18)7-4-12-2-5-14(16)6-3-12/h2-3,5-6,8-9,11H,4,7,10,16H2,1H3
InChIKeyZGJINKLLAVHVMY-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.92
Rot. Bonds5

About 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide

3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 54905173) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID54905173
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H18N2OS/c1-17(10-13-8-9-19-11-13)15(18)7-4-12-2-5-14(16)6-3-12/h2-3,5-6,8-9,11H,4,7,10,16H2,1H3
InChIKeyZGJINKLLAVHVMY-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 61093832
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
N-cyclopropyl-4-[[methyl(3-thiophen-3-ylpropanoyl)amino]methyl]benzamide
CID 38397536
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 55402933
3-[methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986769
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
CID 43646268
4-[3-(4-aminophenyl)propanoyl-methylamino]butanoic acid
CID 115341281
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide (CID 54905173) is 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide is CN(Cc1ccsc1)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is ZGJINKLLAVHVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(10-13-8-9-19-11-13)15(18)7-4-12-2-5-14(16)6-3-12/h2-3,5-6,8-9,11H,4,7,10,16H2,1H3.
What are the key properties of 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide?
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 54905173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).