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

C21H25N3O3S2 — CID 3315451

IUPACN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C21H25N3O3S2/c1-3-12-24(13-4-2)29(26,27)17-10-11-18-19(15-17)28-21(22-18)23-20(25)14-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,23,25)
InChIKeyOKPCSBGAYSSWIL-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.29
Rot. Bonds9

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

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide (PubChem CID 3315451) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
PubChem CID3315451
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C21H25N3O3S2/c1-3-12-24(13-4-2)29(26,27)17-10-11-18-19(15-17)28-21(22-18)23-20(25)14-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,23,25)
InChIKeyOKPCSBGAYSSWIL-UHFFFAOYSA-N
XLogP4.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
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-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
2-(1,3-dioxoisoindol-2-yl)-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbutanamide
CID 4291516
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 41232987
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide (CID 3315451) is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The InChIKey is OKPCSBGAYSSWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-3-12-24(13-4-2)29(26,27)17-10-11-18-19(15-17)28-21(22-18)23-20(25)14-16-8-6-5-7-9-16/h5-11,15H,3-4,12-14H2,1-2H3,(H,22,23,25).
What are the key properties of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide has a molecular weight of 431.58 g/mol, XLogP of 4.29, 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]-2-phenylacetamide is sourced from PubChem (CID 3315451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).