[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone

C18H15NO2S — CID 25263746

IUPAC[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2csc(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15NO2S/c1-21-14-9-7-12(8-10-14)15-11-22-18(19)16(15)17(20)13-5-3-2-4-6-13/h2-11H,19H2,1H3
InChIKeyRIWDYVZUUIBOBI-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.24
Rot. Bonds4

About [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone

[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone (PubChem CID 25263746) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone
PubChem CID25263746
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2csc(N)c2C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H15NO2S/c1-21-14-9-7-12(8-10-14)15-11-22-18(19)16(15)17(20)13-5-3-2-4-6-13/h2-11H,19H2,1H3
InChIKeyRIWDYVZUUIBOBI-UHFFFAOYSA-N
XLogP4.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone?
The IUPAC name of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone (CID 25263746) is [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone is COc1ccc(-c2csc(N)c2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone?
The InChIKey is RIWDYVZUUIBOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-21-14-9-7-12(8-10-14)15-11-22-18(19)16(15)17(20)13-5-3-2-4-6-13/h2-11H,19H2,1H3.
What are the key properties of [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone?
[2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone has a molecular weight of 309.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(4-methoxyphenyl)thiophen-3-yl]-phenylmethanone is sourced from PubChem (CID 25263746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).