trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

C23H23NO2S — CID 51348370

IUPACtrans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1ccc(-c2ccc([C@H](CO)NC(=O)[C@@H]3C[C@H]3c3cccs3)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21(14-25)24-23(26)20-13-19(20)22-3-2-12-27-22/h2-12,19-21,25H,13-14H2,1H3,(H,24,26)/t19-,20-,21+/m1/s1
InChIKeyFTJGKCRCBGQPIG-NJYVYQBISA-N
MW377.51 g/mol
LogP4.68
Rot. Bonds6

About trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 51348370) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID51348370
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Nametrans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1ccc(-c2ccc([C@H](CO)NC(=O)[C@@H]3C[C@H]3c3cccs3)cc2)cc1
InChIInChI=1S/C23H23NO2S/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21(14-25)24-23(26)20-13-19(20)22-3-2-12-27-22/h2-12,19-21,25H,13-14H2,1H3,(H,24,26)/t19-,20-,21+/m1/s1
InChIKeyFTJGKCRCBGQPIG-NJYVYQBISA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 51348370) is trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is Cc1ccc(-c2ccc([C@H](CO)NC(=O)[C@@H]3C[C@H]3c3cccs3)cc2)cc1.
What is the InChIKey of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is FTJGKCRCBGQPIG-NJYVYQBISA-N. The full InChI is InChI=1S/C23H23NO2S/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)21(14-25)24-23(26)20-13-19(20)22-3-2-12-27-22/h2-12,19-21,25H,13-14H2,1H3,(H,24,26)/t19-,20-,21+/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 51348370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).