2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

C42H36Cl10N2O7S2 — CID 157067729

IUPAC2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.CS(=O)CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C21H18Cl5NO4S.C21H18Cl5NO3S/c1-32(30,31)6-2-3-17(28)15-10-14(4-5-16(15)24)27-20(29)19-18(21(19,25)26)11-7-12(22)9-13(23)8-11;1-31(30)6-2-3-17(28)15-10-14(4-5-16(15)24)27-20(29)19-18(21(19,25)26)11-7-12(22)9-13(23)8-11/h4-5,7-10,18-19H,2-3,6H2,1H3,(H,27,29);4-5,7-10,18-19H,2-3,6H2,1H3,(H,27,29)
InChIKeyACBMVGOFMCZASK-UHFFFAOYSA-N
MW1099.42 g/mol
LogP12.69
Rot. Bonds16

About 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide

2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 157067729) has the molecular formula C42H36Cl10N2O7S2 and a molecular weight of 1099.42 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID157067729
Molecular FormulaC42H36Cl10N2O7S2
Molecular Weight1099.42 g/mol
Exact Mass1093.88
IUPAC Name2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.CS(=O)CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl
InChIInChI=1S/C21H18Cl5NO4S.C21H18Cl5NO3S/c1-32(30,31)6-2-3-17(28)15-10-14(4-5-16(15)24)27-20(29)19-18(21(19,25)26)11-7-12(22)9-13(23)8-11;1-31(30)6-2-3-17(28)15-10-14(4-5-16(15)24)27-20(29)19-18(21(19,25)26)11-7-12(22)9-13(23)8-11/h4-5,7-10,18-19H,2-3,6H2,1H3,(H,27,29);4-5,7-10,18-19H,2-3,6H2,1H3,(H,27,29)
InChIKeyACBMVGOFMCZASK-UHFFFAOYSA-N
XLogP12.69
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001099.42
LogP ≤ 512.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 157067730
N-[3-(6-acetamidohexanoyl)-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 157325214
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2-methylsulfinylethyl)benzamide
CID 122622141
2,2-dichloro-N-[4-chloro-3-(8,8,8-trifluoro-5-oxooctanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 147063227
[4-[2-[2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]-2-oxoethyl]phenyl]azanium chloride
CID 158483690
N-(5-acetamidopentyl)-2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 134418636
2,2-dichloro-N-[4-chloro-3-[2-(1-cyanocyclopropyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 146795788
2-chloro-N-(4-chlorophenyl)-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 122619017
2,2-dichloro-N-[4-chloro-3-[2-[3-methyl-4-(methylamino)phenyl]acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148868341
2,2-dichloro-N-[4-chloro-3-[2-(2,3,4-trifluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 148562302
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-pentylbenzamide
CID 122622266
N-[3-[2-(4-amino-2-fluorophenyl)acetyl]-4-chlorophenyl]-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 160594940

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide (CID 157067729) is 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is CS(=O)(=O)CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.CS(=O)CCCC(=O)c1cc(NC(=O)C2C(c3cc(Cl)cc(Cl)c3)C2(Cl)Cl)ccc1Cl.
What is the InChIKey of 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is ACBMVGOFMCZASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl5NO4S.C21H18Cl5NO3S/c1-32(30,31)6-2-3-17(28)15-10-14(4-5-16(15)24)27-20(29)19-18(21(19,25)26)11-7-12(22)9-13(23)8-11;1-31(30)6-2-3-17(28)15-10-14(4-5-16(15)24)27-20(29)19-18(21(19,25)26)11-7-12(22)9-13(23)8-11/h4-5,7-10,18-19H,2-3,6H2,1H3,(H,27,29);4-5,7-10,18-19H,2-3,6H2,1H3,(H,27,29).
What are the key properties of 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 1099.42 g/mol, XLogP of 12.69, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-chloro-3-(4-methylsulfinylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide;2,2-dichloro-N-[4-chloro-3-(4-methylsulfonylbutanoyl)phenyl]-3-(3,5-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157067729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).