N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide

C21H17NO4S — CID 129354528

IUPACN-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C21H17NO4S/c23-20(16-5-3-15(4-6-16)17-8-11-27-13-17)22-14-21(24,18-7-10-25-12-18)19-2-1-9-26-19/h1-13,24H,14H2,(H,22,23)/t21-/m0/s1
InChIKeyAMHIBCIQSIKVKD-NRFANRHFSA-N
MW379.44 g/mol
LogP4.27
Rot. Bonds6

About N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide

N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide (PubChem CID 129354528) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
PubChem CID129354528
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C21H17NO4S/c23-20(16-5-3-15(4-6-16)17-8-11-27-13-17)22-14-21(24,18-7-10-25-12-18)19-2-1-9-26-19/h1-13,24H,14H2,(H,22,23)/t21-/m0/s1
InChIKeyAMHIBCIQSIKVKD-NRFANRHFSA-N
XLogP4.27
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 119101056
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
CID 171137083
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide
CID 129355354
5-chloro-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 129354558
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 124892273
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 119101079
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 129354788
(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
CID 129355308

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide (CID 129354528) is N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide is O=C(NC[C@](O)(c1ccoc1)c1ccco1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide?
The InChIKey is AMHIBCIQSIKVKD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17NO4S/c23-20(16-5-3-15(4-6-16)17-8-11-27-13-17)22-14-21(24,18-7-10-25-12-18)19-2-1-9-26-19/h1-13,24H,14H2,(H,22,23)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide?
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide has a molecular weight of 379.44 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 129354528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).