(2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide

C15H18N2OS — CID 99776048

IUPAC(2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide
SMILESCNCc1ccccc1NC(=O)[C@@H](C)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-8-5-9-19-14)15(18)17-13-7-4-3-6-12(13)10-16-2/h3-9,11,16H,10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyCYZMMILUDAKLOC-NSHDSACASA-N
MW274.39 g/mol
LogP3.21
Rot. Bonds5

About (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide

(2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide (PubChem CID 99776048) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide
PubChem CID99776048
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide
SMILESCNCc1ccccc1NC(=O)[C@@H](C)c1cccs1
InChIInChI=1S/C15H18N2OS/c1-11(14-8-5-9-19-14)15(18)17-13-7-4-3-6-12(13)10-16-2/h3-9,11,16H,10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyCYZMMILUDAKLOC-NSHDSACASA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylaminomethyl)phenyl]-2-phenylacetamide
CID 43601028
3,4-dimethoxy-5-(2-thiophen-2-ylpropanoylamino)benzoic acid
CID 119214268
N-[2-(methylaminomethyl)phenyl]-2-methylsulfanylacetamide
CID 43600953
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
CID 102905627
3-[ethyl-[[2-(methylaminomethyl)phenyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62852293
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
3-methyl-4-[[2-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 81070076
2-methyl-3-(methylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 79195857
N-(thiadiazol-5-yl)-2-thiophen-2-ylpropanamide
CID 102562225
2,2-dimethyl-3-[[2-(methylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64836949
ethyl 2-[2-(methylaminomethyl)anilino]-2-oxoacetate
CID 61408382
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide (CID 99776048) is (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide is CNCc1ccccc1NC(=O)[C@@H](C)c1cccs1.
What is the InChIKey of (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide?
The InChIKey is CYZMMILUDAKLOC-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(14-8-5-9-19-14)15(18)17-13-7-4-3-6-12(13)10-16-2/h3-9,11,16H,10H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide?
(2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide has a molecular weight of 274.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(methylaminomethyl)phenyl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 99776048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).