3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide

C15H18N2O2S — CID 119343360

IUPAC3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
SMILESCOc1ccc(-c2csc(CNC(=O)CCN)c2)cc1
InChIInChI=1S/C15H18N2O2S/c1-19-13-4-2-11(3-5-13)12-8-14(20-10-12)9-17-15(18)6-7-16/h2-5,8,10H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyYPVWWLYQKDWSIL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.39
Rot. Bonds6

About 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide

3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide (PubChem CID 119343360) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
PubChem CID119343360
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
SMILESCOc1ccc(-c2csc(CNC(=O)CCN)c2)cc1
InChIInChI=1S/C15H18N2O2S/c1-19-13-4-2-11(3-5-13)12-8-14(20-10-12)9-17-15(18)6-7-16/h2-5,8,10H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyYPVWWLYQKDWSIL-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride
CID 119818238
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
CID 111619363
trans-(1S,2R)-1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-2-methylcyclopropane-1-carboxylic acid
CID 167801951
N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71982590
(1R,2S,4R)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378297
4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019202
(2R)-2-(hydroxymethyl)-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 111619348
1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122004897
2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine
CID 111573105
1-(3-hydroxy-2-phenylpropyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 109409108
3-amino-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119295082
4-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)butanamide
CID 100830827

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide (CID 119343360) is 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide is COc1ccc(-c2csc(CNC(=O)CCN)c2)cc1.
What is the InChIKey of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide?
The InChIKey is YPVWWLYQKDWSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-13-4-2-11(3-5-13)12-8-14(20-10-12)9-17-15(18)6-7-16/h2-5,8,10H,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide?
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide has a molecular weight of 290.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide is sourced from PubChem (CID 119343360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).