N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

C15H19N3OS — CID 43527265

IUPACN-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1N)N(C)Cc1cccs1
InChIInChI=1S/C15H19N3OS/c1-11(18(2)10-12-6-5-9-20-12)15(19)17-14-8-4-3-7-13(14)16/h3-9,11H,10,16H2,1-2H3,(H,17,19)
InChIKeyDYXQEYWBJXHLMP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.79
Rot. Bonds5

About N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide

N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 43527265) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
PubChem CID43527265
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
SMILESCC(C(=O)Nc1ccccc1N)N(C)Cc1cccs1
InChIInChI=1S/C15H19N3OS/c1-11(18(2)10-12-6-5-9-20-12)15(19)17-14-8-4-3-7-13(14)16/h3-9,11H,10,16H2,1-2H3,(H,17,19)
InChIKeyDYXQEYWBJXHLMP-UHFFFAOYSA-N
XLogP2.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527250
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
(2R)-N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8516902
N-(2-aminophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61426661
N-(2-aminophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295395
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
CID 8718468
N-(2-aminophenyl)-2-(dipropylamino)propanamide
CID 16778886
(2R)-2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2-fluorophenyl)propanamide
CID 27072122
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 8517017
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide (CID 43527265) is N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is CC(C(=O)Nc1ccccc1N)N(C)Cc1cccs1.
What is the InChIKey of N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is DYXQEYWBJXHLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(18(2)10-12-6-5-9-20-12)15(19)17-14-8-4-3-7-13(14)16/h3-9,11H,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide?
N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 289.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 43527265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).