2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide

C20H16BrNO3S — CID 18188534

IUPAC2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
SMILESCOc1cccc2c1-c1ccc(CC(N)=O)cc1C(c1ccc(Br)s1)O2
InChIInChI=1S/C20H16BrNO3S/c1-24-14-3-2-4-15-19(14)12-6-5-11(10-18(22)23)9-13(12)20(25-15)16-7-8-17(21)26-16/h2-9,20H,10H2,1H3,(H2,22,23)
InChIKeyFIIBLBJWIVLOBH-UHFFFAOYSA-N
MW430.32 g/mol
LogP4.70
Rot. Bonds4

About 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide

2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide (PubChem CID 18188534) has the molecular formula C20H16BrNO3S and a molecular weight of 430.32 g/mol. Its IUPAC name is 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide.

Molecular Properties

Compound Name2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
PubChem CID18188534
Molecular FormulaC20H16BrNO3S
Molecular Weight430.32 g/mol
Exact Mass429.00
IUPAC Name2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
SMILESCOc1cccc2c1-c1ccc(CC(N)=O)cc1C(c1ccc(Br)s1)O2
InChIInChI=1S/C20H16BrNO3S/c1-24-14-3-2-4-15-19(14)12-6-5-11(10-18(22)23)9-13(12)20(25-15)16-7-8-17(21)26-16/h2-9,20H,10H2,1H3,(H2,22,23)
InChIKeyFIIBLBJWIVLOBH-UHFFFAOYSA-N
XLogP4.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70028281
2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
CID 18189280
2-[6-(5-bromothiophen-2-yl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]benzamide
CID 18189345
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
CID 18503955
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]benzoic acid
CID 18189442
ethyl 3-[4-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoate
CID 18188838
[6-(3,4-dimethoxyphenyl)-1-(hydroxymethyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189093
[6-[3-[(E)-3-bromoprop-2-enoxy]phenyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188574
2-[6-(3-chlorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026381
ethyl 5-[3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpentanoate
CID 18503961
ethyl 6-[3-[1-methoxy-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylhexanoate
CID 18188935

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
The IUPAC name of 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide (CID 18188534) is 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide.
What is the SMILES notation for 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
The canonical SMILES for 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide is COc1cccc2c1-c1ccc(CC(N)=O)cc1C(c1ccc(Br)s1)O2.
What is the InChIKey of 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
The InChIKey is FIIBLBJWIVLOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO3S/c1-24-14-3-2-4-15-19(14)12-6-5-11(10-18(22)23)9-13(12)20(25-15)16-7-8-17(21)26-16/h2-9,20H,10H2,1H3,(H2,22,23).
What are the key properties of 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide?
2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide has a molecular weight of 430.32 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-bromothiophen-2-yl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide is sourced from PubChem (CID 18188534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).