4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide

C21H19FN2O2S — CID 46564866

IUPAC4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C21H19FN2O2S/c1-14(25)23-13-15-4-6-17(7-5-15)21(26)24-20(19-3-2-12-27-19)16-8-10-18(22)11-9-16/h2-12,20H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyDIKCUDNWDVCKSR-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.04
Rot. Bonds6

About 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide

4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 46564866) has the molecular formula C21H19FN2O2S and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID46564866
Molecular FormulaC21H19FN2O2S
Molecular Weight382.46 g/mol
Exact Mass382.12
IUPAC Name4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1
InChIInChI=1S/C21H19FN2O2S/c1-14(25)23-13-15-4-6-17(7-5-15)21(26)24-20(19-3-2-12-27-19)16-8-10-18(22)11-9-16/h2-12,20H,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyDIKCUDNWDVCKSR-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46655862
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55499002
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
N-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40820713
methyl 3-(4-fluorophenyl)-3-[[4-[(thiophene-2-carbonylamino)methyl]benzoyl]amino]propanoate
CID 55994543
4-(acetamidomethyl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029454
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide (CID 46564866) is 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide is CC(=O)NCc1ccc(C(=O)NC(c2ccc(F)cc2)c2cccs2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is DIKCUDNWDVCKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2S/c1-14(25)23-13-15-4-6-17(7-5-15)21(26)24-20(19-3-2-12-27-19)16-8-10-18(22)11-9-16/h2-12,20H,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide?
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 46564866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).