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

C13H14ClNO3S — CID 71989468

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)c2ccc(Cl)s2)o1
InChIInChI=1S/C13H14ClNO3S/c1-2-8-3-4-10(18-8)13(17)15-7-9(16)11-5-6-12(14)19-11/h3-6,9,16H,2,7H2,1H3,(H,15,17)
InChIKeyVPJUDVUETDYGBA-UHFFFAOYSA-N
MW299.78 g/mol
LogP3.02
Rot. Bonds5

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

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide (PubChem CID 71989468) 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]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
PubChem CID71989468
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCC(O)c2ccc(Cl)s2)o1
InChIInChI=1S/C13H14ClNO3S/c1-2-8-3-4-10(18-8)13(17)15-7-9(16)11-5-6-12(14)19-11/h3-6,9,16H,2,7H2,1H3,(H,15,17)
InChIKeyVPJUDVUETDYGBA-UHFFFAOYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide
CID 42957659
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 111452382
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 71989480
5-ethyl-N-(3-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65034203
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
CID 94310935
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 110007680
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95988579

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide (CID 71989468) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCC(O)c2ccc(Cl)s2)o1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
The InChIKey is VPJUDVUETDYGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c1-2-8-3-4-10(18-8)13(17)15-7-9(16)11-5-6-12(14)19-11/h3-6,9,16H,2,7H2,1H3,(H,15,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide has a molecular weight of 299.78 g/mol, XLogP of 3.02, 5 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]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 71989468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).