[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone

C24H25ClN2O2S — CID 134273167

IUPAC[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C24H25ClN2O2S/c1-24(2,3)22-14-16(6-7-26-22)21-13-18(15-30-21)19-5-4-17(12-20(19)25)23(28)27-8-10-29-11-9-27/h4-7,12-15H,8-11H2,1-3H3
InChIKeyOFGFVCOVIGQYMG-UHFFFAOYSA-N
MW441.00 g/mol
LogP5.90
Rot. Bonds3

About [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone

[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone (PubChem CID 134273167) has the molecular formula C24H25ClN2O2S and a molecular weight of 441.00 g/mol. Its IUPAC name is [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone
PubChem CID134273167
Molecular FormulaC24H25ClN2O2S
Molecular Weight441.00 g/mol
Exact Mass440.13
IUPAC Name[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C24H25ClN2O2S/c1-24(2,3)22-14-16(6-7-26-22)21-13-18(15-30-21)19-5-4-17(12-20(19)25)23(28)27-8-10-29-11-9-27/h4-7,12-15H,8-11H2,1-3H3
InChIKeyOFGFVCOVIGQYMG-UHFFFAOYSA-N
XLogP5.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.00
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone (CID 134273167) is [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone is CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCOCC4)cc3Cl)cs2)ccn1.
What is the InChIKey of [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone?
The InChIKey is OFGFVCOVIGQYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2S/c1-24(2,3)22-14-16(6-7-26-22)21-13-18(15-30-21)19-5-4-17(12-20(19)25)23(28)27-8-10-29-11-9-27/h4-7,12-15H,8-11H2,1-3H3.
What are the key properties of [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone?
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone has a molecular weight of 441.00 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134273167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).