2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide

C23H22N2O2S — CID 51132681

IUPAC2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2c(s1)CCCC2)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-22(16-8-2-1-3-9-16)17-10-4-5-11-18(17)23(27)24-15-14-21-25-19-12-6-7-13-20(19)28-21/h1-5,8-11H,6-7,12-15H2,(H,24,27)
InChIKeyPWTNTBDHCZUVID-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.23
Rot. Bonds6

About 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide

2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide (PubChem CID 51132681) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
PubChem CID51132681
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nc2c(s1)CCCC2)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H22N2O2S/c26-22(16-8-2-1-3-9-16)17-10-4-5-11-18(17)23(27)24-15-14-21-25-19-12-6-7-13-20(19)28-21/h1-5,8-11H,6-7,12-15H2,(H,24,27)
InChIKeyPWTNTBDHCZUVID-UHFFFAOYSA-N
XLogP4.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
3-benzyl-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]azetidine-3-carboxamide
CID 166623393
6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 71934139
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
4-fluoro-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]benzamide
CID 110441669
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]thiophene-2-carboxamide
CID 110442389
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 56521457
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
CID 110467175
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 170510965

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide (CID 51132681) is 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide is O=C(NCCc1nc2c(s1)CCCC2)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
The InChIKey is PWTNTBDHCZUVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-22(16-8-2-1-3-9-16)17-10-4-5-11-18(17)23(27)24-15-14-21-25-19-12-6-7-13-20(19)28-21/h1-5,8-11H,6-7,12-15H2,(H,24,27).
What are the key properties of 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide?
2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 51132681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).