cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

C23H24N2O4S — CID 118716944

IUPACcis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC
InChIInChI=1S/C23H24N2O4S/c1-15-13-24-22(30-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
InChIKeyKZDOYGPQRTYYQX-FDDCHVKYSA-N
MW424.52 g/mol
LogP4.44
Rot. Bonds8

About cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 118716944) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID118716944
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Namecis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC
InChIInChI=1S/C23H24N2O4S/c1-15-13-24-22(30-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1
InChIKeyKZDOYGPQRTYYQX-FDDCHVKYSA-N
XLogP4.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide (CID 118716944) is cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is COc1ccc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ncc(C)s2)cc1OC.
What is the InChIKey of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KZDOYGPQRTYYQX-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-13-24-22(30-15)25-21(26)18-12-23(18,16-7-5-4-6-8-16)14-29-17-9-10-19(27-2)20(11-17)28-3/h4-11,13,18H,12,14H2,1-3H3,(H,24,25,26)/t18-,23+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(3,4-dimethoxyphenoxy)methyl]-N-(5-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 118716944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).