N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide

C24H23N3O4S2 — CID 46325696

IUPACN-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)cc1
InChIInChI=1S/C24H23N3O4S2/c1-3-7-16-10-12-19(13-11-16)33(29,30)27-18-14-20(31-2)22-21(15-18)32-24(25-22)26-23(28)17-8-5-4-6-9-17/h4-6,8-15,27H,3,7H2,1-2H3,(H,25,26,28)
InChIKeyOHDAUOFKQIPBKT-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.31
Rot. Bonds8

About N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide

N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46325696) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
PubChem CID46325696
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC NameN-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)cc1
InChIInChI=1S/C24H23N3O4S2/c1-3-7-16-10-12-19(13-11-16)33(29,30)27-18-14-20(31-2)22-21(15-18)32-24(25-22)26-23(28)17-8-5-4-6-9-17/h4-6,8-15,27H,3,7H2,1-2H3,(H,25,26,28)
InChIKeyOHDAUOFKQIPBKT-UHFFFAOYSA-N
XLogP5.31
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325719
N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325650
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045166
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043147
N-[4-methoxy-6-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 46291081
N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46326085

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide (CID 46325696) is N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide is CCCc1ccc(S(=O)(=O)Nc2cc(OC)c3nc(NC(=O)c4ccccc4)sc3c2)cc1.
What is the InChIKey of N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is OHDAUOFKQIPBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-3-7-16-10-12-19(13-11-16)33(29,30)27-18-14-20(31-2)22-21(15-18)32-24(25-22)26-23(28)17-8-5-4-6-9-17/h4-6,8-15,27H,3,7H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide?
N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 481.60 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).