2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

C17H25ClFN3O2S — CID 119443855

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C17H24FN3O2S.ClH/c1-12(17(23)21(2)15-7-9-19-10-8-15)24-11-16(22)20-14-5-3-13(18)4-6-14;/h3-6,12,15,19H,7-11H2,1-2H3,(H,20,22);1H
InChIKeyCXIDGXPLPQOOJN-UHFFFAOYSA-N
MW389.92 g/mol
LogP2.52
Rot. Bonds6

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119443855) has the molecular formula C17H25ClFN3O2S and a molecular weight of 389.92 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119443855
Molecular FormulaC17H25ClFN3O2S
Molecular Weight389.92 g/mol
Exact Mass389.13
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C17H24FN3O2S.ClH/c1-12(17(23)21(2)15-7-9-19-10-8-15)24-11-16(22)20-14-5-3-13(18)4-6-14;/h3-6,12,15,19H,7-11H2,1-2H3,(H,20,22);1H
InChIKeyCXIDGXPLPQOOJN-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428204
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N,N-bis(2-methylpropyl)propanamide
CID 78861206
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 51158171
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 51266512
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 134047380
[2-(dimethylamino)-2-oxoethyl] (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 7892752
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
N-benzyl-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 55501499
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
N-(4-fluorophenyl)-2-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylacetamide;hydrochloride
CID 119546108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (CID 119443855) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is CC(SCC(=O)Nc1ccc(F)cc1)C(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is CXIDGXPLPQOOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S.ClH/c1-12(17(23)21(2)15-7-9-19-10-8-15)24-11-16(22)20-14-5-3-13(18)4-6-14;/h3-6,12,15,19H,7-11H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 389.92 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119443855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).