N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

C19H17N3O6S2 — CID 42109109

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1
InChIInChI=1S/C19H17N3O6S2/c1-26-13-3-5-14(6-4-13)30(24,25)22-19-21-15(11-29-19)18(23)20-12-2-7-16-17(10-12)28-9-8-27-16/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyONJXSFKWLCAGIN-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.98
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 42109109) has the molecular formula C19H17N3O6S2 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID42109109
Molecular FormulaC19H17N3O6S2
Molecular Weight447.49 g/mol
Exact Mass447.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1
InChIInChI=1S/C19H17N3O6S2/c1-26-13-3-5-14(6-4-13)30(24,25)22-19-21-15(11-29-19)18(23)20-12-2-7-16-17(10-12)28-9-8-27-16/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyONJXSFKWLCAGIN-UHFFFAOYSA-N
XLogP2.98
TPSA115.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 5186215
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
N-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109088
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 25405503
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405775
2-(1,3-benzodioxol-5-ylamino)-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 84555005
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 42109109) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is ONJXSFKWLCAGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S2/c1-26-13-3-5-14(6-4-13)30(24,25)22-19-21-15(11-29-19)18(23)20-12-2-7-16-17(10-12)28-9-8-27-16/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42109109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).