5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide

C12H12ClNO3S — CID 71787678

IUPAC5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(O)c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c13-11-4-3-10(18-11)12(16)14-6-5-8(15)9-2-1-7-17-9/h1-4,7-8,15H,5-6H2,(H,14,16)
InChIKeyQLAGZPGJGKATHD-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.85
Rot. Bonds5

About 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide

5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide (PubChem CID 71787678) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
PubChem CID71787678
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
SMILESO=C(NCCC(O)c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClNO3S/c13-11-4-3-10(18-11)12(16)14-6-5-8(15)9-2-1-7-17-9/h1-4,7-8,15H,5-6H2,(H,14,16)
InChIKeyQLAGZPGJGKATHD-UHFFFAOYSA-N
XLogP2.85
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 97106233
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
CID 90523835
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
5-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 4808914
5-chloro-N-(3-hydroxy-4-methoxybutyl)thiophene-2-carboxamide
CID 103877510
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
2-[(5-chlorothiophene-2-carbonyl)amino]ethyl 5-chlorothiophene-2-carboxylate
CID 169435764
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-phenoxybenzamide
CID 90523775

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide (CID 71787678) is 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide is O=C(NCCC(O)c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The InChIKey is QLAGZPGJGKATHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c13-11-4-3-10(18-11)12(16)14-6-5-8(15)9-2-1-7-17-9/h1-4,7-8,15H,5-6H2,(H,14,16).
What are the key properties of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide has a molecular weight of 285.75 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 71787678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).