2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide

C20H23ClN2O5S — CID 26055318

IUPAC2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H23ClN2O5S/c1-2-9-22-20(24)14-23(13-15-5-3-4-6-17(15)21)29(25,26)16-7-8-18-19(12-16)28-11-10-27-18/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,24)
InChIKeyUOEMIUXHXDDDMQ-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.83
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide

2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide (PubChem CID 26055318) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide
PubChem CID26055318
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H23ClN2O5S/c1-2-9-22-20(24)14-23(13-15-5-3-4-6-17(15)21)29(25,26)16-7-8-18-19(12-16)28-11-10-27-18/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,24)
InChIKeyUOEMIUXHXDDDMQ-UHFFFAOYSA-N
XLogP2.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
2-[(2-chlorophenyl)methyl-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]acetyl]amino]-N-propylbutanamide
CID 132688301
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 2283551
2-[benzyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 4219426
2-[[2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]-[(2-chlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132644606
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
N-(2,5-dichlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(propyl)amino]acetamide
CID 2538512
2-[[2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-butylbutanamide
CID 132752777
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-propylacetamide
CID 126063097
N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetyl]amino]butanamide
CID 132755475
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3266857
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4239320

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide (CID 26055318) is 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide is CCCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide?
The InChIKey is UOEMIUXHXDDDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-2-9-22-20(24)14-23(13-15-5-3-4-6-17(15)21)29(25,26)16-7-8-18-19(12-16)28-11-10-27-18/h3-8,12H,2,9-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide?
2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide has a molecular weight of 438.93 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-N-propylacetamide is sourced from PubChem (CID 26055318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).