trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C20H24N2O3S2 — CID 10341191

IUPACtrans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1ccc([C@@]2(C(=O)Nc3nccs3)C[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-27(24,25)16-9-7-15(8-10-16)20(18(23)22-19-21-11-12-26-19)13-17(20)14-5-3-2-4-6-14/h7-12,14,17H,2-6,13H2,1H3,(H,21,22,23)/t17-,20-/m0/s1
InChIKeyGSCWRMDHCYJPDA-PXNSSMCTSA-N
MW404.56 g/mol
LogP4.02
Rot. Bonds5

About trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 10341191) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID10341191
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Nametrans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)c1ccc([C@@]2(C(=O)Nc3nccs3)C[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C20H24N2O3S2/c1-27(24,25)16-9-7-15(8-10-16)20(18(23)22-19-21-11-12-26-19)13-17(20)14-5-3-2-4-6-14/h7-12,14,17H,2-6,13H2,1H3,(H,21,22,23)/t17-,20-/m0/s1
InChIKeyGSCWRMDHCYJPDA-PXNSSMCTSA-N
XLogP4.02
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 10341191) is trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is CS(=O)(=O)c1ccc([C@@]2(C(=O)Nc3nccs3)C[C@H]2C2CCCCC2)cc1.
What is the InChIKey of trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is GSCWRMDHCYJPDA-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c1-27(24,25)16-9-7-15(8-10-16)20(18(23)22-19-21-11-12-26-19)13-17(20)14-5-3-2-4-6-14/h7-12,14,17H,2-6,13H2,1H3,(H,21,22,23)/t17-,20-/m0/s1.
What are the key properties of trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-cyclohexyl-1-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 10341191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).