4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

C23H23NO2S — CID 30943798

IUPAC4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c25-22(20-10-8-19(9-11-20)18-5-2-1-3-6-18)24-17-23(12-14-26-15-13-23)21-7-4-16-27-21/h1-11,16H,12-15,17H2,(H,24,25)
InChIKeyPZEYXEUTKPTFLR-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.89
Rot. Bonds5

About 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (PubChem CID 30943798) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
PubChem CID30943798
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c25-22(20-10-8-19(9-11-20)18-5-2-1-3-6-18)24-17-23(12-14-26-15-13-23)21-7-4-16-27-21/h1-11,16H,12-15,17H2,(H,24,25)
InChIKeyPZEYXEUTKPTFLR-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 72717858
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943783
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806744
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806746
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (CID 30943798) is 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is O=C(NCC1(c2cccs2)CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is PZEYXEUTKPTFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c25-22(20-10-8-19(9-11-20)18-5-2-1-3-6-18)24-17-23(12-14-26-15-13-23)21-7-4-16-27-21/h1-11,16H,12-15,17H2,(H,24,25).
What are the key properties of 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 377.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 30943798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).