2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide

C16H20N2O2S — CID 96520007

IUPAC2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide
SMILESCOc1ccccc1NCC(=O)NC[C@@H](C)c1ccsc1
InChIInChI=1S/C16H20N2O2S/c1-12(13-7-8-21-11-13)9-18-16(19)10-17-14-5-3-4-6-15(14)20-2/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyJRBQKEVIGZNJNE-GFCCVEGCSA-N
MW304.42 g/mol
LogP3.09
Rot. Bonds7

About 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide

2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide (PubChem CID 96520007) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide
PubChem CID96520007
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide
SMILESCOc1ccccc1NCC(=O)NC[C@@H](C)c1ccsc1
InChIInChI=1S/C16H20N2O2S/c1-12(13-7-8-21-11-13)9-18-16(19)10-17-14-5-3-4-6-15(14)20-2/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyJRBQKEVIGZNJNE-GFCCVEGCSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide (CID 96520007) is 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide is COc1ccccc1NCC(=O)NC[C@@H](C)c1ccsc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide?
The InChIKey is JRBQKEVIGZNJNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(13-7-8-21-11-13)9-18-16(19)10-17-14-5-3-4-6-15(14)20-2/h3-8,11-12,17H,9-10H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide?
2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide is sourced from PubChem (CID 96520007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).