cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide

C14H19NO4S — CID 124847314

IUPACcis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C14H19NO4S/c1-8-5-10(3)13(19-4)12(6-8)20(17,18)15-14(16)11-7-9(11)2/h5-6,9,11H,7H2,1-4H3,(H,15,16)/t9-,11+/m1/s1
InChIKeyKNXJGVYCBKKCFP-KOLCDFICSA-N
MW297.38 g/mol
LogP1.77
Rot. Bonds4

About cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide (PubChem CID 124847314) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide
PubChem CID124847314
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namecis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)NC(=O)[C@H]1C[C@H]1C
InChIInChI=1S/C14H19NO4S/c1-8-5-10(3)13(19-4)12(6-8)20(17,18)15-14(16)11-7-9(11)2/h5-6,9,11H,7H2,1-4H3,(H,15,16)/t9-,11+/m1/s1
InChIKeyKNXJGVYCBKKCFP-KOLCDFICSA-N
XLogP1.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide (CID 124847314) is cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide is COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)[C@H]1C[C@H]1C.
What is the InChIKey of cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide?
The InChIKey is KNXJGVYCBKKCFP-KOLCDFICSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-8-5-10(3)13(19-4)12(6-8)20(17,18)15-14(16)11-7-9(11)2/h5-6,9,11H,7H2,1-4H3,(H,15,16)/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(2-methoxy-3,5-dimethylphenyl)sulfonyl-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 124847314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).