N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide

C24H22N2O3S — CID 26115691

IUPACN-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-28-20-13-12-18(16-21(20)29-2)23(27)26(15-14-17-8-4-3-5-9-17)24-25-19-10-6-7-11-22(19)30-24/h3-13,16H,14-15H2,1-2H3
InChIKeyPCMJFBPKVFENRS-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.20
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide

N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide (PubChem CID 26115691) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
PubChem CID26115691
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1OC
InChIInChI=1S/C24H22N2O3S/c1-28-20-13-12-18(16-21(20)29-2)23(27)26(15-14-17-8-4-3-5-9-17)24-25-19-10-6-7-11-22(19)30-24/h3-13,16H,14-15H2,1-2H3
InChIKeyPCMJFBPKVFENRS-UHFFFAOYSA-N
XLogP5.20
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8670835
ethyl 2-[(4-ethoxy-3-methoxybenzoyl)-(2-phenylethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 55369668
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-[2-(diethylamino)ethyl]-3,4-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7511175
N-(1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzamide
CID 16548881
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592799
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3,4-dimethylbenzamide
CID 7577259
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3,4-dimethoxybenzamide;hydrochloride
CID 44925557
N-(1,3-benzothiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 55546277
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 7915812
N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 41345005
2-[(6-chloro-1,3-benzothiazol-2-yl)-(3,4-dimethoxybenzoyl)amino]ethyl-dimethylazanium
CID 7507623

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide (CID 26115691) is N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide is COc1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide?
The InChIKey is PCMJFBPKVFENRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-28-20-13-12-18(16-21(20)29-2)23(27)26(15-14-17-8-4-3-5-9-17)24-25-19-10-6-7-11-22(19)30-24/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 5.20, 7 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)-3,4-dimethoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 26115691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).