2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide

C15H18N2OS — CID 61220745

IUPAC2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide
SMILESCC(C)(NCc1ccc(-c2ccccc2)s1)C(N)=O
InChIInChI=1S/C15H18N2OS/c1-15(2,14(16)18)17-10-12-8-9-13(19-12)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3,(H2,16,18)
InChIKeyREZHVKXOUDLENK-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.77
Rot. Bonds5

About 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide

2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide (PubChem CID 61220745) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide
PubChem CID61220745
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide
SMILESCC(C)(NCc1ccc(-c2ccccc2)s1)C(N)=O
InChIInChI=1S/C15H18N2OS/c1-15(2,14(16)18)17-10-12-8-9-13(19-12)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3,(H2,16,18)
InChIKeyREZHVKXOUDLENK-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
2-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]propane-1,3-diol
CID 103880591
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
CID 110292483
3-[5-(ethylaminomethyl)thiophen-2-yl]benzoic acid
CID 84756409
2-methyl-3-[(5-phenylthiophen-2-yl)methylamino]propane-1,2-diol
CID 66170674
N-ethyl-2-[(5-phenylthiophen-2-yl)methylamino]acetamide
CID 43223958
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
5-methyl-N-[(5-phenylthiophen-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934155
2,6-dimethoxy-N-[(5-phenylthiophen-2-yl)methyl]benzamide
CID 110292490
N-(methylsulfamoyl)-1-(5-phenylthiophen-2-yl)methanamine
CID 110631418
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide (CID 61220745) is 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide is CC(C)(NCc1ccc(-c2ccccc2)s1)C(N)=O.
What is the InChIKey of 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide?
The InChIKey is REZHVKXOUDLENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,14(16)18)17-10-12-8-9-13(19-12)11-6-4-3-5-7-11/h3-9,17H,10H2,1-2H3,(H2,16,18).
What are the key properties of 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide?
2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide has a molecular weight of 274.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-phenylthiophen-2-yl)methylamino]propanamide is sourced from PubChem (CID 61220745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).