4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide

C22H17N3O2S — CID 26181585

IUPAC4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17N3O2S/c1-14(26)23-16-12-10-15(11-13-16)21(27)24-18-7-3-2-6-17(18)22-25-19-8-4-5-9-20(19)28-22/h2-13H,1H3,(H,23,26)(H,24,27)
InChIKeyKWFZVMVIUHDTBQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.17
Rot. Bonds4

About 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide

4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 26181585) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
PubChem CID26181585
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H17N3O2S/c1-14(26)23-16-12-10-15(11-13-16)21(27)24-18-7-3-2-6-17(18)22-25-19-8-4-5-9-20(19)28-22/h2-13H,1H3,(H,23,26)(H,24,27)
InChIKeyKWFZVMVIUHDTBQ-UHFFFAOYSA-N
XLogP5.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16549827
4-amino-N-[4-[(4-aminobenzoyl)amino]-3-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 5068021
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4549252
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45029639
N-[2-(1,3-benzothiazol-2-yl)-4-fluorophenyl]benzamide
CID 162385471
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
CID 4283027
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 1104009
N-[2-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-4-methylbenzamide
CID 170058376

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide (CID 26181585) is 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide?
The InChIKey is KWFZVMVIUHDTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c1-14(26)23-16-12-10-15(11-13-16)21(27)24-18-7-3-2-6-17(18)22-25-19-8-4-5-9-20(19)28-22/h2-13H,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide?
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 26181585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).