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

C25H24N2OS — CID 43989882

IUPACN-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(C(C)C)cccc3s2)cc1
InChIInChI=1S/C25H24N2OS/c1-17(2)21-10-7-11-22-23(21)26-25(29-22)27(16-19-8-5-4-6-9-19)24(28)20-14-12-18(3)13-15-20/h4-15,17H,16H2,1-3H3
InChIKeyQUKAUCSMKBPBAH-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.58
Rot. Bonds5

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

N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 43989882) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID43989882
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC NameN-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(C(C)C)cccc3s2)cc1
InChIInChI=1S/C25H24N2OS/c1-17(2)21-10-7-11-22-23(21)26-25(29-22)27(16-19-8-5-4-6-9-19)24(28)20-14-12-18(3)13-15-20/h4-15,17H,16H2,1-3H3
InChIKeyQUKAUCSMKBPBAH-UHFFFAOYSA-N
XLogP6.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 43989979
4-phenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965761
N-benzyl-4-(diethylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16939049
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939048
N-benzyl-3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16841720
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 41109630
N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989959
N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 2452849
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 41115931
N-(furan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938885
N-benzyl-3-butoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989919
N-benzyl-4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989945

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 43989882) is N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc(C(=O)N(Cc2ccccc2)c2nc3c(C(C)C)cccc3s2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QUKAUCSMKBPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-17(2)21-10-7-11-22-23(21)26-25(29-22)27(16-19-8-5-4-6-9-19)24(28)20-14-12-18(3)13-15-20/h4-15,17H,16H2,1-3H3.
What are the key properties of N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 400.55 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 43989882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).