N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide

C18H19NO3S — CID 100784930

IUPACN-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(Sc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C18H19NO3S/c1-21-13-8-9-15(16(12-13)22-2)19-17(20)18(10-11-18)23-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyVOKNEASMASDTTN-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.97
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide

N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide (PubChem CID 100784930) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide
PubChem CID100784930
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(Sc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C18H19NO3S/c1-21-13-8-9-15(16(12-13)22-2)19-17(20)18(10-11-18)23-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyVOKNEASMASDTTN-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 95905786
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979218
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
(15R)-N-(2,4-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1298429
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide (CID 100784930) is N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(Sc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide?
The InChIKey is VOKNEASMASDTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-21-13-8-9-15(16(12-13)22-2)19-17(20)18(10-11-18)23-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide?
N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide is sourced from PubChem (CID 100784930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).