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

C24H22N2O2S — CID 4502426

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H22N2O2S/c1-16(2)15-28-18-9-7-8-17(14-18)23(27)25-20-11-4-3-10-19(20)24-26-21-12-5-6-13-22(21)29-24/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyAEJYSTGRSFGOAG-UHFFFAOYSA-N
MW402.52 g/mol
LogP6.25
Rot. Bonds6

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide (PubChem CID 4502426) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
PubChem CID4502426
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H22N2O2S/c1-16(2)15-28-18-9-7-8-17(14-18)23(27)25-20-11-4-3-10-19(20)24-26-21-12-5-6-13-22(21)29-24/h3-14,16H,15H2,1-2H3,(H,25,27)
InChIKeyAEJYSTGRSFGOAG-UHFFFAOYSA-N
XLogP6.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
CID 40634821
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propoxybenzamide
CID 2298598
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
CID 2864442
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 3949005
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
CID 2224805
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 42999622
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide (CID 4502426) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is AEJYSTGRSFGOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c1-16(2)15-28-18-9-7-8-17(14-18)23(27)25-20-11-4-3-10-19(20)24-26-21-12-5-6-13-22(21)29-24/h3-14,16H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 402.52 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4502426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).