3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide

C16H20N2O2S — CID 120831086

IUPAC3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
SMILESCNC(C)CNC(=O)c1sc(-c2ccccc2)cc1OC
InChIInChI=1S/C16H20N2O2S/c1-11(17-2)10-18-16(19)15-13(20-3)9-14(21-15)12-7-5-4-6-8-12/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyWSNHMCBEECJILE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.76
Rot. Bonds6

About 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide

3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide (PubChem CID 120831086) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
PubChem CID120831086
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
SMILESCNC(C)CNC(=O)c1sc(-c2ccccc2)cc1OC
InChIInChI=1S/C16H20N2O2S/c1-11(17-2)10-18-16(19)15-13(20-3)9-14(21-15)12-7-5-4-6-8-12/h4-9,11,17H,10H2,1-3H3,(H,18,19)
InChIKeyWSNHMCBEECJILE-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide (CID 120831086) is 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide is CNC(C)CNC(=O)c1sc(-c2ccccc2)cc1OC.
What is the InChIKey of 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is WSNHMCBEECJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(17-2)10-18-16(19)15-13(20-3)9-14(21-15)12-7-5-4-6-8-12/h4-9,11,17H,10H2,1-3H3,(H,18,19).
What are the key properties of 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide?
3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 120831086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).