1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone

C16H20N2OS — CID 20811376

IUPAC1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone
SMILESCC(=O)c1c(Nc2ccccc2)sc(C(C)(C)C)c1N
InChIInChI=1S/C16H20N2OS/c1-10(19)12-13(17)14(16(2,3)4)20-15(12)18-11-8-6-5-7-9-11/h5-9,18H,17H2,1-4H3
InChIKeyOHYSVSSTQBDYQD-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone

1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone (PubChem CID 20811376) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone
PubChem CID20811376
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone
SMILESCC(=O)c1c(Nc2ccccc2)sc(C(C)(C)C)c1N
InChIInChI=1S/C16H20N2OS/c1-10(19)12-13(17)14(16(2,3)4)20-15(12)18-11-8-6-5-7-9-11/h5-9,18H,17H2,1-4H3
InChIKeyOHYSVSSTQBDYQD-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone?
The IUPAC name of 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone (CID 20811376) is 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone is CC(=O)c1c(Nc2ccccc2)sc(C(C)(C)C)c1N.
What is the InChIKey of 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone?
The InChIKey is OHYSVSSTQBDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10(19)12-13(17)14(16(2,3)4)20-15(12)18-11-8-6-5-7-9-11/h5-9,18H,17H2,1-4H3.
What are the key properties of 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone?
1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone has a molecular weight of 288.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-anilino-5-tert-butylthiophen-3-yl)ethanone is sourced from PubChem (CID 20811376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).