4,5-bis(4-methoxyphenyl)thiophen-2-amine

C18H17NO2S — CID 23372807

IUPAC4,5-bis(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(-c2cc(N)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO2S/c1-20-14-7-3-12(4-8-14)16-11-17(19)22-18(16)13-5-9-15(21-2)10-6-13/h3-11H,19H2,1-2H3
InChIKeyGYCVDTDHLFQRSK-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.68
Rot. Bonds4

About 4,5-bis(4-methoxyphenyl)thiophen-2-amine

4,5-bis(4-methoxyphenyl)thiophen-2-amine (PubChem CID 23372807) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)thiophen-2-amine
PubChem CID23372807
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name4,5-bis(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(-c2cc(N)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H17NO2S/c1-20-14-7-3-12(4-8-14)16-11-17(19)22-18(16)13-5-9-15(21-2)10-6-13/h3-11H,19H2,1-2H3
InChIKeyGYCVDTDHLFQRSK-UHFFFAOYSA-N
XLogP4.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)thiophen-2-amine?
The IUPAC name of 4,5-bis(4-methoxyphenyl)thiophen-2-amine (CID 23372807) is 4,5-bis(4-methoxyphenyl)thiophen-2-amine.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)thiophen-2-amine?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)thiophen-2-amine is COc1ccc(-c2cc(N)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)thiophen-2-amine?
The InChIKey is GYCVDTDHLFQRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-20-14-7-3-12(4-8-14)16-11-17(19)22-18(16)13-5-9-15(21-2)10-6-13/h3-11H,19H2,1-2H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)thiophen-2-amine?
4,5-bis(4-methoxyphenyl)thiophen-2-amine has a molecular weight of 311.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)thiophen-2-amine is sourced from PubChem (CID 23372807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).