N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C21H21NO4S — CID 124759793

IUPACN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)CC1
InChIInChI=1S/C21H21NO4S/c1-25-17-6-3-2-5-16(17)20(9-10-20)19(23)22-14-21(24,15-8-11-26-13-15)18-7-4-12-27-18/h2-8,11-13,24H,9-10,14H2,1H3,(H,22,23)/t21-/m1/s1
InChIKeyIAQJZDTZEJYBTM-OAQYLSRUSA-N
MW383.47 g/mol
LogP3.43
Rot. Bonds7

About N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 124759793) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID124759793
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)CC1
InChIInChI=1S/C21H21NO4S/c1-25-17-6-3-2-5-16(17)20(9-10-20)19(23)22-14-21(24,15-8-11-26-13-15)18-7-4-12-27-18/h2-8,11-13,24H,9-10,14H2,1H3,(H,22,23)/t21-/m1/s1
InChIKeyIAQJZDTZEJYBTM-OAQYLSRUSA-N
XLogP3.43
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
N-[[4-(furan-3-yl)phenyl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 121020539
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
CID 129418180
(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 129418313
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 124759793) is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NC[C@@](O)(c2ccoc2)c2cccs2)CC1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is IAQJZDTZEJYBTM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-25-17-6-3-2-5-16(17)20(9-10-20)19(23)22-14-21(24,15-8-11-26-13-15)18-7-4-12-27-18/h2-8,11-13,24H,9-10,14H2,1H3,(H,22,23)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124759793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).