[4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone

C19H19BrN2O2S — CID 46039623

IUPAC[4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCOCC3)n2Cc2ccc(Br)cc2)s1
InChIInChI=1S/C19H19BrN2O2S/c1-13-10-16-18(25-13)11-17(19(23)21-6-8-24-9-7-21)22(16)12-14-2-4-15(20)5-3-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyRRPMXUGYVIKKKO-UHFFFAOYSA-N
MW419.34 g/mol
LogP4.29
Rot. Bonds3

About [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone

[4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone (PubChem CID 46039623) has the molecular formula C19H19BrN2O2S and a molecular weight of 419.34 g/mol. Its IUPAC name is [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
PubChem CID46039623
Molecular FormulaC19H19BrN2O2S
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC Name[4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
SMILESCc1cc2c(cc(C(=O)N3CCOCC3)n2Cc2ccc(Br)cc2)s1
InChIInChI=1S/C19H19BrN2O2S/c1-13-10-16-18(25-13)11-17(19(23)21-6-8-24-9-7-21)22(16)12-14-2-4-15(20)5-3-14/h2-5,10-11H,6-9,12H2,1H3
InChIKeyRRPMXUGYVIKKKO-UHFFFAOYSA-N
XLogP4.29
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone (CID 46039623) is [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone is Cc1cc2c(cc(C(=O)N3CCOCC3)n2Cc2ccc(Br)cc2)s1.
What is the InChIKey of [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is RRPMXUGYVIKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2S/c1-13-10-16-18(25-13)11-17(19(23)21-6-8-24-9-7-21)22(16)12-14-2-4-15(20)5-3-14/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone?
[4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 419.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46039623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).