3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide

C15H18N2OS — CID 43528267

IUPAC3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-17(10-12-7-8-19-11-12)15(18)9-14(16)13-5-3-2-4-6-13/h2-8,11,14H,9-10,16H2,1H3
InChIKeyYUHUUPPXWZSZPF-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide

3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 43528267) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID43528267
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCN(Cc1ccsc1)C(=O)CC(N)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-17(10-12-7-8-19-11-12)15(18)9-14(16)13-5-3-2-4-6-13/h2-8,11,14H,9-10,16H2,1H3
InChIKeyYUHUUPPXWZSZPF-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,2-diphenylacetate
CID 9229252
3-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-5-oxopentanoic acid
CID 55157709
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
2-(2-aminophenyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249154
3-amino-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 60947587
2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 42088730
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119949697
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide (CID 43528267) is 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide is CN(Cc1ccsc1)C(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is YUHUUPPXWZSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(10-12-7-8-19-11-12)15(18)9-14(16)13-5-3-2-4-6-13/h2-8,11,14H,9-10,16H2,1H3.
What are the key properties of 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide?
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 43528267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).