2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole

C24H25NOS — CID 129059158

IUPAC2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole
SMILESCc1cc(-c2ccccc2)sc1CCc1cc(Cc2cc[nH]c2C)oc1C
InChIInChI=1S/C24H25NOS/c1-16-13-24(19-7-5-4-6-8-19)27-23(16)10-9-21-15-22(26-18(21)3)14-20-11-12-25-17(20)2/h4-8,11-13,15,25H,9-10,14H2,1-3H3
InChIKeyOOYRXLNHWRVFTL-UHFFFAOYSA-N
MW375.54 g/mol
LogP6.64
Rot. Bonds6

About 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole

2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole (PubChem CID 129059158) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole
PubChem CID129059158
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC Name2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole
SMILESCc1cc(-c2ccccc2)sc1CCc1cc(Cc2cc[nH]c2C)oc1C
InChIInChI=1S/C24H25NOS/c1-16-13-24(19-7-5-4-6-8-19)27-23(16)10-9-21-15-22(26-18(21)3)14-20-11-12-25-17(20)2/h4-8,11-13,15,25H,9-10,14H2,1-3H3
InChIKeyOOYRXLNHWRVFTL-UHFFFAOYSA-N
XLogP6.64
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole?
The IUPAC name of 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole (CID 129059158) is 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole.
What is the SMILES notation for 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole?
The canonical SMILES for 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole is Cc1cc(-c2ccccc2)sc1CCc1cc(Cc2cc[nH]c2C)oc1C.
What is the InChIKey of 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole?
The InChIKey is OOYRXLNHWRVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-16-13-24(19-7-5-4-6-8-19)27-23(16)10-9-21-15-22(26-18(21)3)14-20-11-12-25-17(20)2/h4-8,11-13,15,25H,9-10,14H2,1-3H3.
What are the key properties of 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole?
2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole has a molecular weight of 375.54 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-methyl-4-[2-(3-methyl-5-phenylthiophen-2-yl)ethyl]furan-2-yl]methyl]-1H-pyrrole is sourced from PubChem (CID 129059158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).