N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide

C13H14ClNO3S — CID 71989460

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C13H14ClNO3S/c1-7-5-9(8(2)18-7)13(17)15-6-10(16)11-3-4-12(14)19-11/h3-5,10,16H,6H2,1-2H3,(H,15,17)
InChIKeyYNHDNTWDOBMCQA-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 71989460) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID71989460
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C13H14ClNO3S/c1-7-5-9(8(2)18-7)13(17)15-6-10(16)11-3-4-12(14)19-11/h3-5,10,16H,6H2,1-2H3,(H,15,17)
InChIKeyYNHDNTWDOBMCQA-UHFFFAOYSA-N
XLogP3.07
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide (CID 71989460) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(O)c2ccc(Cl)s2)c(C)o1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is YNHDNTWDOBMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-7-5-9(8(2)18-7)13(17)15-6-10(16)11-3-4-12(14)19-11/h3-5,10,16H,6H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 299.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71989460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).