4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C23H25N3O3S2 — CID 2159342

IUPAC4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C23H25N3O3S2/c1-6-12-26(13-7-2)31(28,29)19-10-8-18(9-11-19)22(27)24-23-25(5)20-15-16(3)14-17(4)21(20)30-23/h6-11,14-15H,1-2,12-13H2,3-5H3/b24-23-
InChIKeySVXYMORJYONJCO-VHXPQNKSSA-N
MW455.61 g/mol
LogP3.96
Rot. Bonds7

About 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2159342) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2159342
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC Name4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C23H25N3O3S2/c1-6-12-26(13-7-2)31(28,29)19-10-8-18(9-11-19)22(27)24-23-25(5)20-15-16(3)14-17(4)21(20)30-23/h6-11,14-15H,1-2,12-13H2,3-5H3/b24-23-
InChIKeySVXYMORJYONJCO-VHXPQNKSSA-N
XLogP3.96
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2159342) is 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is SVXYMORJYONJCO-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-6-12-26(13-7-2)31(28,29)19-10-8-18(9-11-19)22(27)24-23-25(5)20-15-16(3)14-17(4)21(20)30-23/h6-11,14-15H,1-2,12-13H2,3-5H3/b24-23-.
What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 455.61 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2159342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).