N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

C24H25FN2O2S — CID 3657235

IUPACN-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(c2ccccc2F)N2CCOCC2)c1C
InChIInChI=1S/C24H25FN2O2S/c1-16-17(2)30-24(26-23(28)18-8-4-3-5-9-18)21(16)22(27-12-14-29-15-13-27)19-10-6-7-11-20(19)25/h3-11,22H,12-15H2,1-2H3,(H,26,28)
InChIKeyAYPOPNPPFHVZTM-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.18
Rot. Bonds5

About N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide

N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 3657235) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID3657235
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(c2ccccc2F)N2CCOCC2)c1C
InChIInChI=1S/C24H25FN2O2S/c1-16-17(2)30-24(26-23(28)18-8-4-3-5-9-18)21(16)22(27-12-14-29-15-13-27)19-10-6-7-11-20(19)25/h3-11,22H,12-15H2,1-2H3,(H,26,28)
InChIKeyAYPOPNPPFHVZTM-UHFFFAOYSA-N
XLogP5.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 3657235) is N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(C(c2ccccc2F)N2CCOCC2)c1C.
What is the InChIKey of N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is AYPOPNPPFHVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-16-17(2)30-24(26-23(28)18-8-4-3-5-9-18)21(16)22(27-12-14-29-15-13-27)19-10-6-7-11-20(19)25/h3-11,22H,12-15H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide has a molecular weight of 424.54 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 3657235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).