N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide

C24H29FN4O4S — CID 24648015

IUPACN-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)Nc1ccccc1F
InChIInChI=1S/C24H29FN4O4S/c25-19-3-1-2-4-20(19)26-23(30)16-34-17-24(31)27-21-6-5-18(28-7-11-32-12-8-28)15-22(21)29-9-13-33-14-10-29/h1-6,15H,7-14,16-17H2,(H,26,30)(H,27,31)
InChIKeyAURJMIMOUZSGIV-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.81
Rot. Bonds8

About N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide

N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 24648015) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID24648015
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC NameN-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)Nc1ccccc1F
InChIInChI=1S/C24H29FN4O4S/c25-19-3-1-2-4-20(19)26-23(30)16-34-17-24(31)27-21-6-5-18(28-7-11-32-12-8-28)15-22(21)29-9-13-33-14-10-29/h1-6,15H,7-14,16-17H2,(H,26,30)(H,27,31)
InChIKeyAURJMIMOUZSGIV-UHFFFAOYSA-N
XLogP2.81
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 30583413
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CID 2813228
4-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide
CID 119900958
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-phenylacetamide
CID 110362608
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
2-(2-fluorophenyl)-N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 113000301
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
[2-(2-morpholin-4-ylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 4626672
N-(2-morpholin-4-ylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 3717651

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide (CID 24648015) is N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)Nc1ccccc1F.
What is the InChIKey of N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is AURJMIMOUZSGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c25-19-3-1-2-4-20(19)26-23(30)16-34-17-24(31)27-21-6-5-18(28-7-11-32-12-8-28)15-22(21)29-9-13-33-14-10-29/h1-6,15H,7-14,16-17H2,(H,26,30)(H,27,31).
What are the key properties of N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 488.59 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 24648015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).