N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide

C19H20Cl2N2O5S — CID 2538512

IUPACN-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20Cl2N2O5S/c1-2-7-23(12-19(24)22-16-10-13(20)3-5-15(16)21)29(25,26)14-4-6-17-18(11-14)28-9-8-27-17/h3-6,10-11H,2,7-9,12H2,1H3,(H,22,24)
InChIKeyFCMKZEYHLHCROX-UHFFFAOYSA-N
MW459.35 g/mol
LogP3.80
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide

N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide (PubChem CID 2538512) has the molecular formula C19H20Cl2N2O5S and a molecular weight of 459.35 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide
PubChem CID2538512
Molecular FormulaC19H20Cl2N2O5S
Molecular Weight459.35 g/mol
Exact Mass458.05
IUPAC NameN-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20Cl2N2O5S/c1-2-7-23(12-19(24)22-16-10-13(20)3-5-15(16)21)29(25,26)14-4-6-17-18(11-14)28-9-8-27-17/h3-6,10-11H,2,7-9,12H2,1H3,(H,22,24)
InChIKeyFCMKZEYHLHCROX-UHFFFAOYSA-N
XLogP3.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide with MolForge

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Related Compounds

2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(propyl)amino]-N-(2-methylphenyl)acetamide
CID 55352496
N-(2,5-dichlorophenyl)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonyl-propylamino]acetamide
CID 24510909
N-(2,5-dichlorophenyl)-2-[(2-methyl-6-nitrophenyl)sulfonyl-propylamino]acetamide
CID 60538409
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
N-(2,5-dichlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042355
N-(2-bromoethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 80672872
2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide
CID 26055318
N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide
CID 27246590
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylacetamide
CID 55486874
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide (CID 2538512) is N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide?
The InChIKey is FCMKZEYHLHCROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O5S/c1-2-7-23(12-19(24)22-16-10-13(20)3-5-15(16)21)29(25,26)14-4-6-17-18(11-14)28-9-8-27-17/h3-6,10-11H,2,7-9,12H2,1H3,(H,22,24).
What are the key properties of N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide?
N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide has a molecular weight of 459.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 2538512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).