N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

C17H21NO3S — CID 121133140

IUPACN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1cc(C(O)CCNC(=O)C2(c3cccs3)CC2)c(C)o1
InChIInChI=1S/C17H21NO3S/c1-11-10-13(12(2)21-11)14(19)5-8-18-16(20)17(6-7-17)15-4-3-9-22-15/h3-4,9-10,14,19H,5-8H2,1-2H3,(H,18,20)
InChIKeyJFMPOSAETNGYTM-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.23
Rot. Bonds6

About N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 121133140) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID121133140
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCc1cc(C(O)CCNC(=O)C2(c3cccs3)CC2)c(C)o1
InChIInChI=1S/C17H21NO3S/c1-11-10-13(12(2)21-11)14(19)5-8-18-16(20)17(6-7-17)15-4-3-9-22-15/h3-4,9-10,14,19H,5-8H2,1-2H3,(H,18,20)
InChIKeyJFMPOSAETNGYTM-UHFFFAOYSA-N
XLogP3.23
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-N-[3-(2,5-dimethylfuran-3-YL)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71804525
2-((4-fluorophenyl)thio)-N-(3-(furan-3-yl)-3-hydroxypropyl)acetamide
CID 121132778
N-(3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl)-2-((4-fluorophenyl)thio)acetamide
CID 121133093
1-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-(thiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 126850776
1-(4-fluorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide
CID 129417049
1-(4-fluorophenyl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropane-1-carboxamide
CID 129417050
N-[3-Hydroxy-3-(thiophen-2-YL)propyl]-2,5-dimethylfuran-3-carboxamide
CID 71787792
(E)-N-(2-(furan-3-yl)-2-hydroxyethyl)-3-(thiophen-2-yl)acrylamide
CID 71798279
N-(2-(furan-3-yl)-2-hydroxyethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71798319
N-[3-(Furan-3-YL)-3-hydroxypropyl]-4-methylthiophene-2-carboxamide
CID 71804400
5-Chloro-N-[3-(furan-3-YL)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71804411
N1-(3-(furan-3-yl)-3-hydroxypropyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 71804472

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 121133140) is N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is Cc1cc(C(O)CCNC(=O)C2(c3cccs3)CC2)c(C)o1.
What is the InChIKey of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is JFMPOSAETNGYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-11-10-13(12(2)21-11)14(19)5-8-18-16(20)17(6-7-17)15-4-3-9-22-15/h3-4,9-10,14,19H,5-8H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 121133140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).