N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide

C20H23FN2O2S — CID 86835480

IUPACN,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2S/c1-3-23(4-2)20(25)17-7-5-6-8-18(17)22-19(24)13-14-26-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyCVMJGUFRNQNQHZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.43
Rot. Bonds8

About N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide

N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide (PubChem CID 86835480) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide
PubChem CID86835480
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC NameN,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2S/c1-3-23(4-2)20(25)17-7-5-6-8-18(17)22-19(24)13-14-26-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyCVMJGUFRNQNQHZ-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N-ethyl-3-(4-fluorophenyl)sulfanyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24982335
N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
CID 86835537
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
N,N-diethyl-2-[4-(4-methylphenoxy)butanoylamino]benzamide
CID 21368478
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
3-[ethyl-[3-(4-fluorophenyl)sulfanylpropanoyl]amino]propanoic acid
CID 61007466
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide?
The IUPAC name of N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide (CID 86835480) is N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide?
The InChIKey is CVMJGUFRNQNQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-3-23(4-2)20(25)17-7-5-6-8-18(17)22-19(24)13-14-26-16-11-9-15(21)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide?
N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide has a molecular weight of 374.48 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 86835480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).