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

C11H10ClNO3S — CID 71989456

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)s1)c1ccoc1
InChIInChI=1S/C11H10ClNO3S/c12-10-2-1-9(17-10)8(14)5-13-11(15)7-3-4-16-6-7/h1-4,6,8,14H,5H2,(H,13,15)
InChIKeyJCNVCXCPKFNQQA-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.46
Rot. Bonds4

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

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide (PubChem CID 71989456) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide
PubChem CID71989456
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)s1)c1ccoc1
InChIInChI=1S/C11H10ClNO3S/c12-10-2-1-9(17-10)8(14)5-13-11(15)7-3-4-16-6-7/h1-4,6,8,14H,5H2,(H,13,15)
InChIKeyJCNVCXCPKFNQQA-UHFFFAOYSA-N
XLogP2.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.46
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]furan-3-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide (CID 71989456) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide is O=C(NCC(O)c1ccc(Cl)s1)c1ccoc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide?
The InChIKey is JCNVCXCPKFNQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-10-2-1-9(17-10)8(14)5-13-11(15)7-3-4-16-6-7/h1-4,6,8,14H,5H2,(H,13,15).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]furan-3-carboxamide has a molecular weight of 271.72 g/mol, XLogP of 2.46, 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]furan-3-carboxamide is sourced from PubChem (CID 71989456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).