N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

C18H19ClFN3O4S2 — CID 46629867

IUPACN-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O4S2/c1-12(18(24)22-13-2-4-16(20)15(19)10-13)28-17-5-3-14(11-21-17)29(25,26)23-6-8-27-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyIDRKUSPWOWQKRH-UHFFFAOYSA-N
MW459.95 g/mol
LogP3.01
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide

N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 46629867) has the molecular formula C18H19ClFN3O4S2 and a molecular weight of 459.95 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID46629867
Molecular FormulaC18H19ClFN3O4S2
Molecular Weight459.95 g/mol
Exact Mass459.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O4S2/c1-12(18(24)22-13-2-4-16(20)15(19)10-13)28-17-5-3-14(11-21-17)29(25,26)23-6-8-27-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,22,24)
InChIKeyIDRKUSPWOWQKRH-UHFFFAOYSA-N
XLogP3.01
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46617051
N-(3,4-difluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625515
(2R)-N-benzhydryl-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 40919685
N-(3-fluorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625514
(2S)-1-(4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38974194
N-(2,5-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46815261
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 27558905
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813064
(2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 41361926
(2R)-N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
CID 40968697
ethyl (2S)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanoate
CID 52511353
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 41136736

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide (CID 46629867) is N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is CC(Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is IDRKUSPWOWQKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O4S2/c1-12(18(24)22-13-2-4-16(20)15(19)10-13)28-17-5-3-14(11-21-17)29(25,26)23-6-8-27-9-7-23/h2-5,10-12H,6-9H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide?
N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 459.95 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 46629867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).