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

C12H12ClNO3S — CID 71989480

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c1-7-8(4-5-17-7)12(16)14-6-9(15)10-2-3-11(13)18-10/h2-5,9,15H,6H2,1H3,(H,14,16)
InChIKeyUOPBWGFWSPKYGN-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.77
Rot. Bonds4

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

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide (PubChem CID 71989480) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
PubChem CID71989480
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c1-7-8(4-5-17-7)12(16)14-6-9(15)10-2-3-11(13)18-10/h2-5,9,15H,6H2,1H3,(H,14,16)
InChIKeyUOPBWGFWSPKYGN-UHFFFAOYSA-N
XLogP2.77
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95988579
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 71989468
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-fluorobenzamide
CID 94310935
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111486696
N-(2,2-diphenylethyl)-2-methylfuran-3-carboxamide
CID 78808962
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337
(2S)-N-[(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-methylsulfanylpropanamide
CID 95988289
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 111505380
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylfuran-3-carboxamide
CID 35058132
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide (CID 71989480) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide?
The InChIKey is UOPBWGFWSPKYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-7-8(4-5-17-7)12(16)14-6-9(15)10-2-3-11(13)18-10/h2-5,9,15H,6H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.77, 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-methylfuran-3-carboxamide is sourced from PubChem (CID 71989480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).