N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide

C18H12ClNO2S — CID 90955606

IUPACN-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide
SMILESO=C(Cc1csc2ccc(Cl)cc12)Nc1cc2ccccc2o1
InChIInChI=1S/C18H12ClNO2S/c19-13-5-6-16-14(9-13)12(10-23-16)7-17(21)20-18-8-11-3-1-2-4-15(11)22-18/h1-6,8-10H,7H2,(H,20,21)
InChIKeyBKRRDNQJTWGCHN-UHFFFAOYSA-N
MW341.82 g/mol
LogP5.48
Rot. Bonds3

About N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide

N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide (PubChem CID 90955606) has the molecular formula C18H12ClNO2S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide
PubChem CID90955606
Molecular FormulaC18H12ClNO2S
Molecular Weight341.82 g/mol
Exact Mass341.03
IUPAC NameN-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide
SMILESO=C(Cc1csc2ccc(Cl)cc12)Nc1cc2ccccc2o1
InChIInChI=1S/C18H12ClNO2S/c19-13-5-6-16-14(9-13)12(10-23-16)7-17(21)20-18-8-11-3-1-2-4-15(11)22-18/h1-6,8-10H,7H2,(H,20,21)
InChIKeyBKRRDNQJTWGCHN-UHFFFAOYSA-N
XLogP5.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.82
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-benzothiophen-3-yl)-N-ethylacetamide
CID 67581521
(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
CID 23072664
2-(5-chloro-1-benzothiophen-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170601
2-(5-chloro-1-benzothiophen-3-yl)-N-(4-cyclohexylphenyl)acetamide
CID 142027494
(5-chloro-1-benzothiophen-3-yl)methanol
CID 2776136
2-(5-bromo-1-benzothiophen-3-yl)-N-naphthalen-2-ylacetamide
CID 90844313
6-[[2-(5-chloro-1-benzothiophen-3-yl)acetyl]amino]hexanoic acid
CID 120522433
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329
2-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-2-oxoethoxy]acetic acid
CID 2811466
(2R)-3-(5-chloro-1-benzothiophen-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 155588071
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 8578495
5-chloro-3-[(sulfinatoamino)methyl]-1-benzothiophene
CID 68982831

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide?
The IUPAC name of N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide (CID 90955606) is N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide.
What is the SMILES notation for N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide?
The canonical SMILES for N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide is O=C(Cc1csc2ccc(Cl)cc12)Nc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide?
The InChIKey is BKRRDNQJTWGCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2S/c19-13-5-6-16-14(9-13)12(10-23-16)7-17(21)20-18-8-11-3-1-2-4-15(11)22-18/h1-6,8-10H,7H2,(H,20,21).
What are the key properties of N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide?
N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide has a molecular weight of 341.82 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-yl)-2-(5-chloro-1-benzothiophen-3-yl)acetamide is sourced from PubChem (CID 90955606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).