2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide

C18H19F2N3O2S — CID 18145207

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H19F2N3O2S/c19-15-3-2-14(9-16(15)20)26-12-18(24)22-11-13-1-4-17(21-10-13)23-5-7-25-8-6-23/h1-4,9-10H,5-8,11-12H2,(H,22,24)
InChIKeyRAVZWXZJEYXBQI-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.60
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide (PubChem CID 18145207) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
PubChem CID18145207
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C18H19F2N3O2S/c19-15-3-2-14(9-16(15)20)26-12-18(24)22-11-13-1-4-17(21-10-13)23-5-7-25-8-6-23/h1-4,9-10H,5-8,11-12H2,(H,22,24)
InChIKeyRAVZWXZJEYXBQI-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
CID 119839439
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
5-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 43167979
2-(2-fluorophenyl)sulfanyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745356
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
(E)-3-(3-chloro-4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 24613271
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 42444610
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
2-amino-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 119839515
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide (CID 18145207) is 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide is O=C(CSc1ccc(F)c(F)c1)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is RAVZWXZJEYXBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c19-15-3-2-14(9-16(15)20)26-12-18(24)22-11-13-1-4-17(21-10-13)23-5-7-25-8-6-23/h1-4,9-10H,5-8,11-12H2,(H,22,24).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 379.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 18145207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).