N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

C20H29FN2O3S — CID 51222306

IUPACN-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C20H29FN2O3S/c1-15(27-14-19(24)23-17-10-8-16(21)9-11-17)20(25)22-12-5-13-26-18-6-3-2-4-7-18/h8-11,15,18H,2-7,12-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyZYXAXRMXHDWGHB-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.74
Rot. Bonds10

About N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 51222306) has the molecular formula C20H29FN2O3S and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID51222306
Molecular FormulaC20H29FN2O3S
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C20H29FN2O3S/c1-15(27-14-19(24)23-17-10-8-16(21)9-11-17)20(25)22-12-5-13-26-18-6-3-2-4-7-18/h8-11,15,18H,2-7,12-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyZYXAXRMXHDWGHB-UHFFFAOYSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]butanoic acid
CID 82032997
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 40626081
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 55920006
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]acetic acid
CID 119171529
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 51151937
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428204
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124
N-(4-fluorophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 4062248
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(2-fluoro-N-methylanilino)propyl]propanamide
CID 55907635

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (CID 51222306) is N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is CC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is ZYXAXRMXHDWGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3S/c1-15(27-14-19(24)23-17-10-8-16(21)9-11-17)20(25)22-12-5-13-26-18-6-3-2-4-7-18/h8-11,15,18H,2-7,12-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 51222306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).