N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide

C16H14BrNO3S — CID 7457960

IUPACN-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO3S/c17-11-1-3-12(4-2-11)18-16(19)10-22-13-5-6-14-15(9-13)21-8-7-20-14/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyLXGILPWXGKJGJK-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.95
Rot. Bonds4

About N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide

N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide (PubChem CID 7457960) has the molecular formula C16H14BrNO3S and a molecular weight of 380.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
PubChem CID7457960
Molecular FormulaC16H14BrNO3S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC NameN-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrNO3S/c17-11-1-3-12(4-2-11)18-16(19)10-22-13-5-6-14-15(9-13)21-8-7-20-14/h1-6,9H,7-8,10H2,(H,18,19)
InChIKeyLXGILPWXGKJGJK-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-methyl-N-phenylacetamide
CID 2086772
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 2089406
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 9552023
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 5159046
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide
CID 2616084
N-(4-bromo-2-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 24239655
N-(2-bromo-4-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide
CID 24239803
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-methoxyphenyl)propanamide
CID 25469410
N-(4-bromophenyl)-3-((4-methoxyphenyl)thio)propanamide
CID 18586323
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3-fluorophenyl)propanamide
CID 25595309
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 2418242
N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 2606691

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide (CID 7457960) is N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide is O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The InChIKey is LXGILPWXGKJGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3S/c17-11-1-3-12(4-2-11)18-16(19)10-22-13-5-6-14-15(9-13)21-8-7-20-14/h1-6,9H,7-8,10H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide has a molecular weight of 380.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 7457960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).