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

C11H10ClNO3S — CID 95986574

IUPAC5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S/c12-10-2-1-9(17-10)11(15)13-5-8(14)7-3-4-16-6-7/h1-4,6,8,14H,5H2,(H,13,15)/t8-/m1/s1
InChIKeyPWERFTBTGJKUDB-MRVPVSSYSA-N
MW271.73 g/mol
LogP2.46
Rot. Bonds4

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

5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide (PubChem CID 95986574) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
PubChem CID95986574
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Name5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](O)c1ccoc1)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO3S/c12-10-2-1-9(17-10)11(15)13-5-8(14)7-3-4-16-6-7/h1-4,6,8,14H,5H2,(H,13,15)/t8-/m1/s1
InChIKeyPWERFTBTGJKUDB-MRVPVSSYSA-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 ≤ 500271.73
LogP ≤ 52.46
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
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
5-chloro-N-[(2R)-2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]thiophene-2-carboxamide
CID 95771032
5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 97042443
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
N-[3-(benzylamino)-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070790
N-[2-(furan-3-yl)-2-hydroxyethyl]-4-phenylbenzamide
CID 71798320
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]naphthalene-1-carboxamide
CID 95986596

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide (CID 95986574) is 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide is O=C(NC[C@@H](O)c1ccoc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
The InChIKey is PWERFTBTGJKUDB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-10-2-1-9(17-10)11(15)13-5-8(14)7-3-4-16-6-7/h1-4,6,8,14H,5H2,(H,13,15)/t8-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide has a molecular weight of 271.73 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 5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95986574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).