5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide

C18H16ClNO3S2 — CID 97352472

IUPAC5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cccs1
InChIInChI=1S/C18H16ClNO3S2/c1-18(22,15-3-2-10-24-15)11-20-17(21)14-8-9-16(23-14)25-13-6-4-12(19)5-7-13/h2-10,22H,11H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyALXGQEZZDRYRBJ-GOSISDBHSA-N
MW393.92 g/mol
LogP4.78
Rot. Bonds6

About 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide

5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide (PubChem CID 97352472) has the molecular formula C18H16ClNO3S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide
PubChem CID97352472
Molecular FormulaC18H16ClNO3S2
Molecular Weight393.92 g/mol
Exact Mass393.03
IUPAC Name5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide
SMILESC[C@@](O)(CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cccs1
InChIInChI=1S/C18H16ClNO3S2/c1-18(22,15-3-2-10-24-15)11-20-17(21)14-8-9-16(23-14)25-13-6-4-12(19)5-7-13/h2-10,22H,11H2,1H3,(H,20,21)/t18-/m1/s1
InChIKeyALXGQEZZDRYRBJ-GOSISDBHSA-N
XLogP4.78
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-(2-hydroxy-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 111442034
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
4-chloro-2-ethoxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 110007380
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 78962266
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiadiazole-5-carboxamide
CID 71782349

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide (CID 97352472) is 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide is C[C@@](O)(CNC(=O)c1ccc(Sc2ccc(Cl)cc2)o1)c1cccs1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide?
The InChIKey is ALXGQEZZDRYRBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16ClNO3S2/c1-18(22,15-3-2-10-24-15)11-20-17(21)14-8-9-16(23-14)25-13-6-4-12(19)5-7-13/h2-10,22H,11H2,1H3,(H,20,21)/t18-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide?
5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]furan-2-carboxamide is sourced from PubChem (CID 97352472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).