5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide

C15H12ClNO2S3 — CID 126852663

IUPAC5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2cccs2)s1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO2S3/c16-14-6-5-13(22-14)15(19)17-8-9(18)10-3-4-12(21-10)11-2-1-7-20-11/h1-7,9,18H,8H2,(H,17,19)
InChIKeyNJCHCMMGWIESRX-UHFFFAOYSA-N
MW369.92 g/mol
LogP4.65
Rot. Bonds5

About 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 126852663) has the molecular formula C15H12ClNO2S3 and a molecular weight of 369.92 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID126852663
Molecular FormulaC15H12ClNO2S3
Molecular Weight369.92 g/mol
Exact Mass368.97
IUPAC Name5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2cccs2)s1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO2S3/c16-14-6-5-13(22-14)15(19)17-8-9(18)10-3-4-12(21-10)11-2-1-7-20-11/h1-7,9,18H,8H2,(H,17,19)
InChIKeyNJCHCMMGWIESRX-UHFFFAOYSA-N
XLogP4.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 126850873
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 126852668
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136775
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
CID 126852682
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide (CID 126852663) is 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide is O=C(NCC(O)c1ccc(-c2cccs2)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is NJCHCMMGWIESRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S3/c16-14-6-5-13(22-14)15(19)17-8-9(18)10-3-4-12(21-10)11-2-1-7-20-11/h1-7,9,18H,8H2,(H,17,19).
What are the key properties of 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 369.92 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 126852663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).