N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide

C21H23FN2O2S — CID 39083981

IUPACN-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide
SMILESO=C(CSCc1ccc(C(=O)NC2CCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2S/c22-17-9-11-19(12-10-17)23-20(25)14-27-13-15-5-7-16(8-6-15)21(26)24-18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyMQUMNVKKANMVQT-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.37
Rot. Bonds7

About N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide

N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide (PubChem CID 39083981) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide
PubChem CID39083981
Molecular FormulaC21H23FN2O2S
Molecular Weight386.49 g/mol
Exact Mass386.15
IUPAC NameN-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide
SMILESO=C(CSCc1ccc(C(=O)NC2CCCC2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2S/c22-17-9-11-19(12-10-17)23-20(25)14-27-13-15-5-7-16(8-6-15)21(26)24-18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,23,25)(H,24,26)
InChIKeyMQUMNVKKANMVQT-UHFFFAOYSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 39084029
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide
CID 39083980
N-cyclopropyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 9165511
1-[4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzoyl]piperidine-4-carboxylic acid
CID 39080456
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 39080492
N-cyclopentyl-4-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]benzamide
CID 22589736
N,N'-bis[4-(cyclohexylcarbamoyl)phenyl]hexanediamide
CID 43878588
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
N-cyclopropyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 46584778

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide (CID 39083981) is N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide is O=C(CSCc1ccc(C(=O)NC2CCCC2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide?
The InChIKey is MQUMNVKKANMVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c22-17-9-11-19(12-10-17)23-20(25)14-27-13-15-5-7-16(8-6-15)21(26)24-18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide?
N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide has a molecular weight of 386.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]benzamide is sourced from PubChem (CID 39083981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).