N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide

C22H23N3O5S2 — CID 3399066

IUPACN-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C22H23N3O5S2/c1-5-11-25(12-6-2)32(27,28)16-8-10-18-20(14-16)31-22(23-18)24-21(26)17-9-7-15(29-3)13-19(17)30-4/h5-10,13-14H,1-2,11-12H2,3-4H3,(H,23,24,26)
InChIKeyDMKKPEXYLSGWHL-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.93
Rot. Bonds10

About N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide

N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide (PubChem CID 3399066) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
PubChem CID3399066
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC NameN-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C22H23N3O5S2/c1-5-11-25(12-6-2)32(27,28)16-8-10-18-20(14-16)31-22(23-18)24-21(26)17-9-7-15(29-3)13-19(17)30-4/h5-10,13-14H,1-2,11-12H2,3-4H3,(H,23,24,26)
InChIKeyDMKKPEXYLSGWHL-UHFFFAOYSA-N
XLogP3.93
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4575833
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 5220978
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 3660140
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 5108895
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 18560934
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 3622870
3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4850525
(E)-N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3-phenylprop-2-enamide
CID 6085818
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009

Frequently Asked Questions

What is the IUPAC name of N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide (CID 3399066) is N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide is C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1.
What is the InChIKey of N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is DMKKPEXYLSGWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-5-11-25(12-6-2)32(27,28)16-8-10-18-20(14-16)31-22(23-18)24-21(26)17-9-7-15(29-3)13-19(17)30-4/h5-10,13-14H,1-2,11-12H2,3-4H3,(H,23,24,26).
What are the key properties of N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide?
N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 473.58 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 3399066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).