(2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone

C14H11Cl2NO2S — CID 70586825

IUPAC(2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone
SMILESCC1(N)Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1
InChIInChI=1S/C14H11Cl2NO2S/c1-14(17)6-7-5-8(10(15)11(16)13(7)19-14)12(18)9-3-2-4-20-9/h2-5H,6,17H2,1H3
InChIKeyCXRQEGLVWSBHDY-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.90
Rot. Bonds2

About (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone

(2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone (PubChem CID 70586825) has the molecular formula C14H11Cl2NO2S and a molecular weight of 328.22 g/mol. Its IUPAC name is (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone
PubChem CID70586825
Molecular FormulaC14H11Cl2NO2S
Molecular Weight328.22 g/mol
Exact Mass326.99
IUPAC Name(2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone
SMILESCC1(N)Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1
InChIInChI=1S/C14H11Cl2NO2S/c1-14(17)6-7-5-8(10(15)11(16)13(7)19-14)12(18)9-3-2-4-20-9/h2-5H,6,17H2,1H3
InChIKeyCXRQEGLVWSBHDY-UHFFFAOYSA-N
XLogP3.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dichloro-2-methyl-5-(thiophene-3-carbonyl)-3H-1-benzofuran-2-carboxylic acid
CID 70577816
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537
sodium 7,8-dichloro-4-oxo-6-(thiophene-2-carbonyl)chromene-2-carboxylate
CID 90661329
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
(2S)-2-[3-chloro-4-(thiophene-2-carbonyl)phenyl]propanoic acid
CID 70637459
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
CID 13404184
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-thiophen-2-ylmethanone
CID 10757665
(5-methyl-2-phenylfuran-3-yl)-thiophen-2-ylmethanone
CID 134835171
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone (CID 70586825) is (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone is CC1(N)Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1.
What is the InChIKey of (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone?
The InChIKey is CXRQEGLVWSBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S/c1-14(17)6-7-5-8(10(15)11(16)13(7)19-14)12(18)9-3-2-4-20-9/h2-5H,6,17H2,1H3.
What are the key properties of (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone?
(2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone has a molecular weight of 328.22 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,7-dichloro-2-methyl-3H-1-benzofuran-5-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 70586825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).