N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide

C21H20FNO4S — CID 17013553

IUPACN-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C21H20FNO4S/c1-25-18-11-14(12-19(26-2)20(18)27-3)21(24)23(13-17-5-4-10-28-17)16-8-6-15(22)7-9-16/h4-12H,13H2,1-3H3
InChIKeyFTBJCCSOGGEWPT-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.76
Rot. Bonds7

About N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide

N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 17013553) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID17013553
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC NameN-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C21H20FNO4S/c1-25-18-11-14(12-19(26-2)20(18)27-3)21(24)23(13-17-5-4-10-28-17)16-8-6-15(22)7-9-16/h4-12H,13H2,1-3H3
InChIKeyFTBJCCSOGGEWPT-UHFFFAOYSA-N
XLogP4.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55891165
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 46807215
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838372
N-(4-ethylphenyl)-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35180793
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 52700925
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-3,4,5-trimethoxybenzamide
CID 50749068
3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838012
N-(4-fluorophenyl)-2-methyl-3,5-dinitro-N-(thiophen-2-ylmethyl)benzamide
CID 60533765
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1176076
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide (CID 17013553) is N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide is COc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FTBJCCSOGGEWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-25-18-11-14(12-19(26-2)20(18)27-3)21(24)23(13-17-5-4-10-28-17)16-8-6-15(22)7-9-16/h4-12H,13H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide?
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 401.46 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 17013553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).