N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide

C20H17FN2O3S — CID 78812700

IUPACN-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSCc1ccco1)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3S/c21-14-7-9-15(10-8-14)22-20(25)17-5-1-2-6-18(17)23-19(24)13-27-12-16-4-3-11-26-16/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyKQUZOHBIKZJQCU-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.54
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide

N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide (PubChem CID 78812700) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide
PubChem CID78812700
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide
SMILESO=C(CSCc1ccco1)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3S/c21-14-7-9-15(10-8-14)22-20(25)17-5-1-2-6-18(17)23-19(24)13-27-12-16-4-3-11-26-16/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyKQUZOHBIKZJQCU-UHFFFAOYSA-N
XLogP4.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 112780982
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922799
2-[[2-[(3-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 24601940
N-(4-fluorophenyl)-2-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9476583
1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
N-[2-(cyanomethylsulfanyl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780898
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide (CID 78812700) is N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide is O=C(CSCc1ccco1)Nc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide?
The InChIKey is KQUZOHBIKZJQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-14-7-9-15(10-8-14)22-20(25)17-5-1-2-6-18(17)23-19(24)13-27-12-16-4-3-11-26-16/h1-11H,12-13H2,(H,22,25)(H,23,24).
What are the key properties of N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide?
N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide has a molecular weight of 384.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 78812700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).