2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide

C15H18N2OS — CID 18135887

IUPAC2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
SMILESCc1ccsc1CN(C)C(C(N)=O)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11-8-9-19-13(11)10-17(2)14(15(16)18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H2,16,18)
InChIKeyYWUYRLHMIJOFQB-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.71
Rot. Bonds5

About 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide

2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide (PubChem CID 18135887) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
PubChem CID18135887
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
SMILESCc1ccsc1CN(C)C(C(N)=O)c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11-8-9-19-13(11)10-17(2)14(15(16)18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H2,16,18)
InChIKeyYWUYRLHMIJOFQB-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 9434199
(2R)-2-[benzyl(methyl)amino]-2-phenylacetamide;hydrate;hydrochloride
CID 68952302
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
2-[(2-chlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 46678627
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
3-(3-methylthiophen-2-yl)-2-phenylpropanoic acid
CID 79014830
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 24584549
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 51981788

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide (CID 18135887) is 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide is Cc1ccsc1CN(C)C(C(N)=O)c1ccccc1.
What is the InChIKey of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
The InChIKey is YWUYRLHMIJOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-8-9-19-13(11)10-17(2)14(15(16)18)12-6-4-3-5-7-12/h3-9,14H,10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide?
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide has a molecular weight of 274.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 18135887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).