N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide

C20H28FN3O3S — CID 55845235

IUPACN-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCC(CN2CCOCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H28FN3O3S/c21-17-1-3-18(4-2-17)22-19(25)14-28-15-20(26)24-7-5-16(6-8-24)13-23-9-11-27-12-10-23/h1-4,16H,5-15H2,(H,22,25)
InChIKeyZHSBPQBNLKZWFN-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.07
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide (PubChem CID 55845235) has the molecular formula C20H28FN3O3S and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
PubChem CID55845235
Molecular FormulaC20H28FN3O3S
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC NameN-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCC(CN2CCOCC2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H28FN3O3S/c21-17-1-3-18(4-2-17)22-19(25)14-28-15-20(26)24-7-5-16(6-8-24)13-23-9-11-27-12-10-23/h1-4,16H,5-15H2,(H,22,25)
InChIKeyZHSBPQBNLKZWFN-UHFFFAOYSA-N
XLogP2.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
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1-(4-fluorophenyl)-5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pentane-1,5-dione
CID 110304886
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 51147705
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 9254916
2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]piperazin-1-yl]-N-propan-2-ylacetamide
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1-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
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N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55349237
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide (CID 55845235) is N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)N1CCC(CN2CCOCC2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is ZHSBPQBNLKZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3S/c21-17-1-3-18(4-2-17)22-19(25)14-28-15-20(26)24-7-5-16(6-8-24)13-23-9-11-27-12-10-23/h1-4,16H,5-15H2,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 409.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 55845235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).