3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide

C16H20N2OS — CID 107273159

IUPAC3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCc2ccccc2N)sc1C
InChIInChI=1S/C16H20N2OS/c1-11-9-14(20-12(11)2)10-18-16(19)8-7-13-5-3-4-6-15(13)17/h3-6,9H,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyOPJSNKSHIHLXGN-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.20
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide

3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide (PubChem CID 107273159) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
PubChem CID107273159
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)CCc2ccccc2N)sc1C
InChIInChI=1S/C16H20N2OS/c1-11-9-14(20-12(11)2)10-18-16(19)8-7-13-5-3-4-6-15(13)17/h3-6,9H,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyOPJSNKSHIHLXGN-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.20
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-[(4,5-dimethylthiophen-2-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 79038909
3-(2-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 107272975
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 104898011
3-(2-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
CID 120613405
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(ethylamino)propanamide
CID 65241813
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 63303724
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
3-(2-aminophenyl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 120612277

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide (CID 107273159) is 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide is Cc1cc(CNC(=O)CCc2ccccc2N)sc1C.
What is the InChIKey of 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide?
The InChIKey is OPJSNKSHIHLXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-9-14(20-12(11)2)10-18-16(19)8-7-13-5-3-4-6-15(13)17/h3-6,9H,7-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide?
3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 107273159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).