3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide

C26H24Cl2N2OS — CID 22270678

IUPAC3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2s1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl2N2OS/c1-17(29-25(31)14-15-26-30-23-4-2-3-5-24(23)32-26)22(19-8-12-21(28)13-9-19)16-18-6-10-20(27)11-7-18/h2-13,17,22H,14-16H2,1H3,(H,29,31)
InChIKeyQNXZEICKDUBUFC-UHFFFAOYSA-N
MW483.46 g/mol
LogP7.07
Rot. Bonds8

About 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide (PubChem CID 22270678) has the molecular formula C26H24Cl2N2OS and a molecular weight of 483.46 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide
PubChem CID22270678
Molecular FormulaC26H24Cl2N2OS
Molecular Weight483.46 g/mol
Exact Mass482.10
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2s1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H24Cl2N2OS/c1-17(29-25(31)14-15-26-30-23-4-2-3-5-24(23)32-26)22(19-8-12-21(28)13-9-19)16-18-6-10-20(27)11-7-18/h2-13,17,22H,14-16H2,1H3,(H,29,31)
InChIKeyQNXZEICKDUBUFC-UHFFFAOYSA-N
XLogP7.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.46
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzothiazol-2-yl)-N-(1,1-diphenylpropan-2-yl)propanamide
CID 46432000
3-(1,3-benzothiazol-2-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 24643115
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
3-[3-(1,3-benzothiazol-2-yl)propanoylamino]butanoic acid
CID 43360732
(2R)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate
CID 9292200
(2R)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 79009269
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 7847041
(2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2-phenylacetic acid
CID 94218622
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-methylbutanamide
CID 10237327
3-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-methylpentan-2-yl)propanamide
CID 142442834
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-5-(2-methylphenyl)-5-oxopentanamide
CID 23404775
3-acetamido-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-chlorophenyl)propanamide
CID 42885719

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide (CID 22270678) is 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide is CC(NC(=O)CCc1nc2ccccc2s1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide?
The InChIKey is QNXZEICKDUBUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2OS/c1-17(29-25(31)14-15-26-30-23-4-2-3-5-24(23)32-26)22(19-8-12-21(28)13-9-19)16-18-6-10-20(27)11-7-18/h2-13,17,22H,14-16H2,1H3,(H,29,31).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide has a molecular weight of 483.46 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-[3,4-bis(4-chlorophenyl)butan-2-yl]propanamide is sourced from PubChem (CID 22270678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).