N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide

C19H21FN4O2S — CID 9254916

IUPACN-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCN(c2ccncc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2S/c20-15-1-3-16(4-2-15)22-18(25)13-27-14-19(26)24-11-9-23(10-12-24)17-5-7-21-8-6-17/h1-8H,9-14H2,(H,22,25)
InChIKeyMQMKSKAEAZPGDK-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.24
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide (PubChem CID 9254916) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
PubChem CID9254916
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCN(c2ccncc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2S/c20-15-1-3-16(4-2-15)22-18(25)13-27-14-19(26)24-11-9-23(10-12-24)17-5-7-21-8-6-17/h1-8H,9-14H2,(H,22,25)
InChIKeyMQMKSKAEAZPGDK-UHFFFAOYSA-N
XLogP2.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 51143754
N-(4-fluorophenyl)-2-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]sulfanylacetamide
CID 55956049
N-(4-fluorophenyl)-2-(2-oxo-2-piperazin-1-ylethyl)sulfanylacetamide
CID 39161773
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 9255143
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 43057701
2-[4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55376747
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-N-phenylacetamide
CID 39075960
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
N-(4-fluorophenyl)-2-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 55845235
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553
2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 51147705

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide (CID 9254916) is N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide is O=C(CSCC(=O)N1CCN(c2ccncc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide?
The InChIKey is MQMKSKAEAZPGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c20-15-1-3-16(4-2-15)22-18(25)13-27-14-19(26)24-11-9-23(10-12-24)17-5-7-21-8-6-17/h1-8H,9-14H2,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide has a molecular weight of 388.47 g/mol, XLogP of 2.24, 6 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-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]sulfanylacetamide is sourced from PubChem (CID 9254916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).