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

C24H25NO3S — CID 75628593

IUPACN-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOc1cc(-c2ccc(C)cc2)ccc1C(CO)NC(=O)C1CC1c1cccs1
InChIInChI=1S/C24H25NO3S/c1-15-5-7-16(8-6-15)17-9-10-18(22(12-17)28-2)21(14-26)25-24(27)20-13-19(20)23-4-3-11-29-23/h3-12,19-21,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyRMQLXXLULAKNOG-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.69
Rot. Bonds7

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

N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 75628593) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID75628593
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC NameN-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCOc1cc(-c2ccc(C)cc2)ccc1C(CO)NC(=O)C1CC1c1cccs1
InChIInChI=1S/C24H25NO3S/c1-15-5-7-16(8-6-15)17-9-10-18(22(12-17)28-2)21(14-26)25-24(27)20-13-19(20)23-4-3-11-29-23/h3-12,19-21,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyRMQLXXLULAKNOG-UHFFFAOYSA-N
XLogP4.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-N-[(1R)-1-[4-(2-ethylbutoxy)phenyl]-2-hydroxyethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348521
N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681294
N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681278
N-(4-methoxyphenyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681350
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 110004375
trans-(1R,2R)-N-[4-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 129261146
trans-(1S,2S)-N-[(1R)-1-[4-(2-methylpentoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348525
4-methyl-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711228
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55363435
(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide (CID 75628593) is N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is COc1cc(-c2ccc(C)cc2)ccc1C(CO)NC(=O)C1CC1c1cccs1.
What is the InChIKey of N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is RMQLXXLULAKNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-15-5-7-16(8-6-15)17-9-10-18(22(12-17)28-2)21(14-26)25-24(27)20-13-19(20)23-4-3-11-29-23/h3-12,19-21,26H,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide?
N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[2-methoxy-4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 75628593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).