2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride

C16H23ClFN3O2S — CID 119428204

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C16H22FN3O2S.ClH/c1-11(16(22)20-14-3-2-8-18-9-14)23-10-15(21)19-13-6-4-12(17)5-7-13;/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyHGZCROUTCVJMPP-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.18
Rot. Bonds6

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 119428204) has the molecular formula C16H23ClFN3O2S and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID119428204
Molecular FormulaC16H23ClFN3O2S
Molecular Weight375.90 g/mol
Exact Mass375.12
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C16H22FN3O2S.ClH/c1-11(16(22)20-14-3-2-8-18-9-14)23-10-15(21)19-13-6-4-12(17)5-7-13;/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyHGZCROUTCVJMPP-UHFFFAOYSA-N
XLogP2.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide
CID 119425787
N-(4-aminocyclohexyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide;hydrochloride
CID 119478124
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443855
N-(1-benzylpiperidin-3-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 55683326
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534892
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
(2S)-N-(4-bromophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730383
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120577866
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 16518940
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]acetic acid
CID 119171529
(2S)-N-(4-tert-butylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8779811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride (CID 119428204) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride is CC(SCC(=O)Nc1ccc(F)cc1)C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is HGZCROUTCVJMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2S.ClH/c1-11(16(22)20-14-3-2-8-18-9-14)23-10-15(21)19-13-6-4-12(17)5-7-13;/h4-7,11,14,18H,2-3,8-10H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 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-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119428204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).