[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone

C20H14ClNOS2 — CID 2309503

IUPAC[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone
SMILESCc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1cccs1
InChIInChI=1S/C20H14ClNOS2/c1-13-18(19(23)17-6-4-12-24-17)22-11-3-2-5-16(22)20(13)25-15-9-7-14(21)8-10-15/h2-12H,1H3
InChIKeyKHPWRDFATJNSBX-UHFFFAOYSA-N
MW383.93 g/mol
LogP6.34
Rot. Bonds4

About [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone

[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone (PubChem CID 2309503) has the molecular formula C20H14ClNOS2 and a molecular weight of 383.93 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone
PubChem CID2309503
Molecular FormulaC20H14ClNOS2
Molecular Weight383.93 g/mol
Exact Mass383.02
IUPAC Name[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone
SMILESCc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1cccs1
InChIInChI=1S/C20H14ClNOS2/c1-13-18(19(23)17-6-4-12-24-17)22-11-3-2-5-16(22)20(13)25-15-9-7-14(21)8-10-15/h2-12H,1H3
InChIKeyKHPWRDFATJNSBX-UHFFFAOYSA-N
XLogP6.34
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.93
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone (CID 2309503) is [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone is Cc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1cccs1.
What is the InChIKey of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is KHPWRDFATJNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNOS2/c1-13-18(19(23)17-6-4-12-24-17)22-11-3-2-5-16(22)20(13)25-15-9-7-14(21)8-10-15/h2-12H,1H3.
What are the key properties of [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone?
[1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 383.93 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfanyl-2-methylindolizin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2309503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).