3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide

C15H16ClNO3S — CID 122162583

IUPAC3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NCC(OCCO)c1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c16-13-3-1-2-11(8-13)15(19)17-9-14(20-6-5-18)12-4-7-21-10-12/h1-4,7-8,10,14,18H,5-6,9H2,(H,17,19)
InChIKeyUOAUJNRDHREOCH-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.88
Rot. Bonds7

About 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide

3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide (PubChem CID 122162583) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
PubChem CID122162583
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NCC(OCCO)c1ccsc1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO3S/c16-13-3-1-2-11(8-13)15(19)17-9-14(20-6-5-18)12-4-7-21-10-12/h1-4,7-8,10,14,18H,5-6,9H2,(H,17,19)
InChIKeyUOAUJNRDHREOCH-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162593
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931447
2-(4-chlorophenoxy)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-2-methylpropanamide
CID 122162608
3-(2-chlorophenyl)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122162612
(E)-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-3-phenylprop-2-enamide
CID 122162578
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 122162600
1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]urea
CID 122162659
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]oxamide
CID 122162650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide (CID 122162583) is 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide is O=C(NCC(OCCO)c1ccsc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide?
The InChIKey is UOAUJNRDHREOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c16-13-3-1-2-11(8-13)15(19)17-9-14(20-6-5-18)12-4-7-21-10-12/h1-4,7-8,10,14,18H,5-6,9H2,(H,17,19).
What are the key properties of 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide?
3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide has a molecular weight of 325.82 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 122162583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).