2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide

C14H16N2OS — CID 118926035

IUPAC2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide
SMILESCNC(=O)C(N)(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-16-13(17)14(15,9-11-7-8-18-10-11)12-5-3-2-4-6-12/h2-8,10H,9,15H2,1H3,(H,16,17)
InChIKeyXLFBMKNSQHRJFU-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.89
Rot. Bonds4

About 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide

2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide (PubChem CID 118926035) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide
PubChem CID118926035
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide
SMILESCNC(=O)C(N)(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-16-13(17)14(15,9-11-7-8-18-10-11)12-5-3-2-4-6-12/h2-8,10H,9,15H2,1H3,(H,16,17)
InChIKeyXLFBMKNSQHRJFU-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
thiophen-3-ylmethyl N-phenylcarbamate
CID 174477055
2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-phenyl-N-propyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 63507962
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
3-ethyl-3-phenyl-1-thiophen-3-ylpentan-2-ol
CID 63083411
2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
CID 84752460
N-methyl-1-thiophen-3-ylmethanamine;phenylmethanamine
CID 142969768
3-ethylthiophene;N'-(2-methyl-1,1-diphenylprop-2-enyl)ethanimidamide
CID 145460589
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide?
The IUPAC name of 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide (CID 118926035) is 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide is CNC(=O)C(N)(Cc1ccsc1)c1ccccc1.
What is the InChIKey of 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide?
The InChIKey is XLFBMKNSQHRJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16-13(17)14(15,9-11-7-8-18-10-11)12-5-3-2-4-6-12/h2-8,10H,9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide?
2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide has a molecular weight of 260.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-phenyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 118926035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).