N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide

C25H25N3O3S2 — CID 41109487

IUPACN-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H25N3O3S2/c1-3-27(4-2)33(30,31)21-16-14-20(15-17-21)24(29)28(18-19-10-6-5-7-11-19)25-26-22-12-8-9-13-23(22)32-25/h5-17H,3-4,18H2,1-2H3
InChIKeyALEKUGFEEGHGRX-UHFFFAOYSA-N
MW479.63 g/mol
LogP5.17
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide (PubChem CID 41109487) has the molecular formula C25H25N3O3S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
PubChem CID41109487
Molecular FormulaC25H25N3O3S2
Molecular Weight479.63 g/mol
Exact Mass479.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H25N3O3S2/c1-3-27(4-2)33(30,31)21-16-14-20(15-17-21)24(29)28(18-19-10-6-5-7-11-19)25-26-22-12-8-9-13-23(22)32-25/h5-17H,3-4,18H2,1-2H3
InChIKeyALEKUGFEEGHGRX-UHFFFAOYSA-N
XLogP5.17
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110417
N-benzyl-4-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110277
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44922718
N-benzyl-4-(diethylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16939049
N-benzyl-4-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41115797
N-(1,3-benzothiazol-2-yl)-4-[benzyl(methyl)sulfamoyl]-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 44922800
N-benzyl-4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110554
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
CID 8613503
4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965845
N-(1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 41004761
4-[benzyl(ethyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949161
4-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43963438

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide (CID 41109487) is N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide?
The InChIKey is ALEKUGFEEGHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2/c1-3-27(4-2)33(30,31)21-16-14-20(15-17-21)24(29)28(18-19-10-6-5-7-11-19)25-26-22-12-8-9-13-23(22)32-25/h5-17H,3-4,18H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide has a molecular weight of 479.63 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 41109487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).