2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone

C17H17Cl2NO2S — CID 21187842

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C17H17Cl2NO2S/c1-10(2)22-16-6-11(4-5-17(16)23-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10H,7H2,1-3H3
InChIKeyXFIHCPZXVKEHQS-UHFFFAOYSA-N
MW370.30 g/mol
LogP5.32
Rot. Bonds6

About 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone

2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone (PubChem CID 21187842) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone
PubChem CID21187842
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC(C)C
InChIInChI=1S/C17H17Cl2NO2S/c1-10(2)22-16-6-11(4-5-17(16)23-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10H,7H2,1-3H3
InChIKeyXFIHCPZXVKEHQS-UHFFFAOYSA-N
XLogP5.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.30
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloropyrid-4-yl)-3-cyclopentyloxy-4-(fluoromethylthio)-benzamide
CID 21187859
N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide
CID 23204625
2-(3,5-Dichloro-4-pyridinyl)-1-[4-(fluoromethoxy)-3-propan-2-yloxyphenyl]ethanone
CID 67812943
1-[3-(Cyclopropylmethoxy)-4-(2,2-difluoroethyl)phenyl]-2-(3,5-dichloro-1-methylpyridin-1-ium-4-yl)ethanone
CID 159952741
(E)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 60603924
1-[4-(Difluoromethylsulfanyl)-3-methoxyphenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 76878172
2-[4-[(3R)-3-[(3-benzoyl-5-chloro-2-pyridinyl)oxy]butoxy]-2-methylphenyl]sulfanylacetic acid
CID 11306290
N-(3,5-dichloropyrid-4-yl)-3-cyclopentyloxy-4-(methylthio)benzamide
CID 15458418
2,4-Dichloro-3-(3-ethoxy-2-methyl-4-methylsulfonylbenzoyl)pyridine
CID 19417345
2-(3,5-Dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanol
CID 21187864
2-(3,5-Dichloro-4-pyridinyl)-1-(4-methoxy-3-propan-2-yloxyphenyl)ethanone
CID 21187883
2-(3,5-Dichloro-4-pyridinyl)-1-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]ethanone
CID 21187913

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone (CID 21187842) is 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone is CSc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OC(C)C.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone?
The InChIKey is XFIHCPZXVKEHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c1-10(2)22-16-6-11(4-5-17(16)23-3)15(21)7-12-13(18)8-20-9-14(12)19/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone has a molecular weight of 370.30 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-(4-methylsulfanyl-3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 21187842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).