2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide

C15H18N2OS — CID 112726245

IUPAC2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
SMILESCc1ccsc1CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11-8-9-19-14(11)10-16-12(2)15(18)17-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3,(H,17,18)
InChIKeyQUPAGWJNWPIIHX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.17
Rot. Bonds5

About 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide

2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide (PubChem CID 112726245) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
PubChem CID112726245
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
SMILESCc1ccsc1CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11-8-9-19-14(11)10-16-12(2)15(18)17-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3,(H,17,18)
InChIKeyQUPAGWJNWPIIHX-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43400102
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
N-(2-methylbutan-2-yl)-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 113221911
N,N-dimethyl-2-[(3-methylthiophen-2-yl)methylamino]propanamide
CID 43573926
4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991351
2-(furan-2-ylmethylamino)-N-phenylpropanamide
CID 43083282
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
CID 78963148
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
CID 115767897
4-[(3-methylthiophen-2-yl)methylamino]-5-phenylpentanoic acid
CID 120511953

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide (CID 112726245) is 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide is Cc1ccsc1CNC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide?
The InChIKey is QUPAGWJNWPIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-8-9-19-14(11)10-16-12(2)15(18)17-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide?
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide has a molecular weight of 274.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide is sourced from PubChem (CID 112726245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).