5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide

C15H12ClNO3S2 — CID 124892273

IUPAC5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO3S2/c16-13-4-3-11(22-13)14(18)17-9-15(19,10-5-7-21-8-10)12-2-1-6-20-12/h1-8,19H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyPGOWTQNSLIXETN-OAHLLOKOSA-N
MW353.85 g/mol
LogP3.72
Rot. Bonds5

About 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide

5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide (PubChem CID 124892273) has the molecular formula C15H12ClNO3S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
PubChem CID124892273
Molecular FormulaC15H12ClNO3S2
Molecular Weight353.85 g/mol
Exact Mass352.99
IUPAC Name5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO3S2/c16-13-4-3-11(22-13)14(18)17-9-15(19,10-5-7-21-8-10)12-2-1-6-20-12/h1-8,19H,9H2,(H,17,18)/t15-/m1/s1
InChIKeyPGOWTQNSLIXETN-OAHLLOKOSA-N
XLogP3.72
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 129354558
4-bromo-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 121018403
3-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]benzamide
CID 124759774
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(trifluoromethyl)benzamide
CID 119101115
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124891612
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
1-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-propan-2-ylurea
CID 119101156
3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124891742
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124891179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide (CID 124892273) is 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide is O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
The InChIKey is PGOWTQNSLIXETN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12ClNO3S2/c16-13-4-3-11(22-13)14(18)17-9-15(19,10-5-7-21-8-10)12-2-1-6-20-12/h1-8,19H,9H2,(H,17,18)/t15-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide?
5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 124892273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).