acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide

C24H23ClF2N4O4S2 — CID 144574271

IUPACacetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide
SMILESC#C.CN(CCN(CC(=O)NO)Sc1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)Sc1ccc[nH]c1=O
InChIInChI=1S/C22H21ClF2N4O4S2.C2H2/c1-28(35-19-3-2-8-26-22(19)31)9-10-29(13-20(30)27-32)34-16-11-17(24)21(18(25)12-16)33-15-6-4-14(23)5-7-15;1-2/h2-8,11-12,32H,9-10,13H2,1H3,(H,26,31)(H,27,30);1-2H
InChIKeyABFQPKWMAKHZDM-UHFFFAOYSA-N
MW569.06 g/mol
LogP4.80
Rot. Bonds11

About acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide

acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide (PubChem CID 144574271) has the molecular formula C24H23ClF2N4O4S2 and a molecular weight of 569.06 g/mol. Its IUPAC name is acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide.

Molecular Properties

Compound Nameacetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide
PubChem CID144574271
Molecular FormulaC24H23ClF2N4O4S2
Molecular Weight569.06 g/mol
Exact Mass568.08
IUPAC Nameacetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide
SMILESC#C.CN(CCN(CC(=O)NO)Sc1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)Sc1ccc[nH]c1=O
InChIInChI=1S/C22H21ClF2N4O4S2.C2H2/c1-28(35-19-3-2-8-26-22(19)31)9-10-29(13-20(30)27-32)34-16-11-17(24)21(18(25)12-16)33-15-6-4-14(23)5-7-15;1-2/h2-8,11-12,32H,9-10,13H2,1H3,(H,26,31)(H,27,30);1-2H
InChIKeyABFQPKWMAKHZDM-UHFFFAOYSA-N
XLogP4.80
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.06
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide?
The IUPAC name of acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide (CID 144574271) is acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide.
What is the SMILES notation for acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide?
The canonical SMILES for acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide is C#C.CN(CCN(CC(=O)NO)Sc1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)Sc1ccc[nH]c1=O.
What is the InChIKey of acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide?
The InChIKey is ABFQPKWMAKHZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N4O4S2.C2H2/c1-28(35-19-3-2-8-26-22(19)31)9-10-29(13-20(30)27-32)34-16-11-17(24)21(18(25)12-16)33-15-6-4-14(23)5-7-15;1-2/h2-8,11-12,32H,9-10,13H2,1H3,(H,26,31)(H,27,30);1-2H.
What are the key properties of acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide?
acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide has a molecular weight of 569.06 g/mol, XLogP of 4.80, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfanyl-[2-[methyl-[(2-oxo-1H-pyridin-3-yl)sulfanyl]amino]ethyl]amino]-N-hydroxyacetamide is sourced from PubChem (CID 144574271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).