2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

C19H16BrNO4S — CID 40913874

IUPAC2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C19H16BrNO4S/c1-24-15-5-3-14(4-6-15)21-19(23)11-26-10-16(22)18-9-12-8-13(20)2-7-17(12)25-18/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyPEPZVAVMLPAIBH-UHFFFAOYSA-N
MW434.31 g/mol
LogP4.76
Rot. Bonds7

About 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 40913874) has the molecular formula C19H16BrNO4S and a molecular weight of 434.31 g/mol. Its IUPAC name is 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID40913874
Molecular FormulaC19H16BrNO4S
Molecular Weight434.31 g/mol
Exact Mass433.00
IUPAC Name2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)c2cc3cc(Br)ccc3o2)cc1
InChIInChI=1S/C19H16BrNO4S/c1-24-15-5-3-14(4-6-15)21-19(23)11-26-10-16(22)18-9-12-8-13(20)2-7-17(12)25-18/h2-9H,10-11H2,1H3,(H,21,23)
InChIKeyPEPZVAVMLPAIBH-UHFFFAOYSA-N
XLogP4.76
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9368153
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 38640316

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 40913874) is 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCC(=O)c2cc3cc(Br)ccc3o2)cc1.
What is the InChIKey of 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is PEPZVAVMLPAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4S/c1-24-15-5-3-14(4-6-15)21-19(23)11-26-10-16(22)18-9-12-8-13(20)2-7-17(12)25-18/h2-9H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 434.31 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-1-benzofuran-2-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 40913874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).