2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C19H16ClN3O5S2 — CID 16574663

IUPAC2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16ClN3O5S2/c20-15-9-12(10-16-18(15)28-7-6-27-16)11-17(24)22-13-1-3-14(4-2-13)30(25,26)23-19-21-5-8-29-19/h1-5,8-10H,6-7,11H2,(H,21,23)(H,22,24)
InChIKeyITUUBUWQIUJQPN-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.55
Rot. Bonds6

About 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 16574663) has the molecular formula C19H16ClN3O5S2 and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID16574663
Molecular FormulaC19H16ClN3O5S2
Molecular Weight465.94 g/mol
Exact Mass465.02
IUPAC Name2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H16ClN3O5S2/c20-15-9-12(10-16-18(15)28-7-6-27-16)11-17(24)22-13-1-3-14(4-2-13)30(25,26)23-19-21-5-8-29-19/h1-5,8-10H,6-7,11H2,(H,21,23)(H,22,24)
InChIKeyITUUBUWQIUJQPN-UHFFFAOYSA-N
XLogP3.55
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 17407194
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
CID 35053547
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 55550911
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
CID 51276762
2-(1,3-benzodioxol-5-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 17310281
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
2-(3-methoxyphenyl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]acetamide
CID 16665833
2-(1-adamantyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25035445
2-[4-[[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]amino]phenyl]-N,N-dimethylacetamide
CID 55798255
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 27286699
3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19221513

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 16574663) is 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is ITUUBUWQIUJQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5S2/c20-15-9-12(10-16-18(15)28-7-6-27-16)11-17(24)22-13-1-3-14(4-2-13)30(25,26)23-19-21-5-8-29-19/h1-5,8-10H,6-7,11H2,(H,21,23)(H,22,24).
What are the key properties of 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 465.94 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 16574663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).