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

C24H25FN2O2S — CID 4133595

IUPACN-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(c2cccc(F)c2)N2CCOCC2)c1C
InChIInChI=1S/C24H25FN2O2S/c1-16-17(2)30-24(26-23(28)18-7-4-3-5-8-18)21(16)22(27-11-13-29-14-12-27)19-9-6-10-20(25)15-19/h3-10,15,22H,11-14H2,1-2H3,(H,26,28)
InChIKeyJPGZWKQCLCOLRZ-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.18
Rot. Bonds5

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

N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (PubChem CID 4133595) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
PubChem CID4133595
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2)c(C(c2cccc(F)c2)N2CCOCC2)c1C
InChIInChI=1S/C24H25FN2O2S/c1-16-17(2)30-24(26-23(28)18-7-4-3-5-8-18)21(16)22(27-11-13-29-14-12-27)19-9-6-10-20(25)15-19/h3-10,15,22H,11-14H2,1-2H3,(H,26,28)
InChIKeyJPGZWKQCLCOLRZ-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-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The IUPAC name of N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide (CID 4133595) is N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2)c(C(c2cccc(F)c2)N2CCOCC2)c1C.
What is the InChIKey of N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
The InChIKey is JPGZWKQCLCOLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-16-17(2)30-24(26-23(28)18-7-4-3-5-8-18)21(16)22(27-11-13-29-14-12-27)19-9-6-10-20(25)15-19/h3-10,15,22H,11-14H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide?
N-[3-[(3-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-[(3-fluorophenyl)-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide is sourced from PubChem (CID 4133595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).