N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide

C26H27N3O3S2 — CID 5176556

IUPACN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1
InChIInChI=1S/C26H27N3O3S2/c1-3-16-29(17-4-2)34(31,32)22-14-15-23-24(18-22)33-26(27-23)28-25(30)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,28,30)
InChIKeyMONWLWHFWLKXKN-UHFFFAOYSA-N
MW493.65 g/mol
LogP6.03
Rot. Bonds9

About N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide (PubChem CID 5176556) has the molecular formula C26H27N3O3S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
PubChem CID5176556
Molecular FormulaC26H27N3O3S2
Molecular Weight493.65 g/mol
Exact Mass493.15
IUPAC NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1
InChIInChI=1S/C26H27N3O3S2/c1-3-16-29(17-4-2)34(31,32)22-14-15-23-24(18-22)33-26(27-23)28-25(30)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,28,30)
InChIKeyMONWLWHFWLKXKN-UHFFFAOYSA-N
XLogP6.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 4282059
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 3346909
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
CID 5075791

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide (CID 5176556) is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1.
What is the InChIKey of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide?
The InChIKey is MONWLWHFWLKXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S2/c1-3-16-29(17-4-2)34(31,32)22-14-15-23-24(18-22)33-26(27-23)28-25(30)21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15,18H,3-4,16-17H2,1-2H3,(H,27,28,30).
What are the key properties of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide?
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide has a molecular weight of 493.65 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 5176556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).