2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

C17H15ClN2O4S2 — CID 2932306

IUPAC2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C17H15ClN2O4S2/c1-10(24-12-5-3-4-11(18)8-12)16(21)20-17-19-14-7-6-13(26(2,22)23)9-15(14)25-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyHDXULONANHJJCC-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.76
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 2932306) has the molecular formula C17H15ClN2O4S2 and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID2932306
Molecular FormulaC17H15ClN2O4S2
Molecular Weight410.90 g/mol
Exact Mass410.02
IUPAC Name2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C17H15ClN2O4S2/c1-10(24-12-5-3-4-11(18)8-12)16(21)20-17-19-14-7-6-13(26(2,22)23)9-15(14)25-17/h3-10H,1-2H3,(H,19,20,21)
InChIKeyHDXULONANHJJCC-UHFFFAOYSA-N
XLogP3.76
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-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

2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 19174332
(2R)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138821
(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138822
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 18837926
2-(2-chloro-4-nitrophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 19591228
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
CID 1370678
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
(2S)-2-(4-chlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 40891449
2-(3-methoxyphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 19203932
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pentanamide
CID 3145091
2-(3,5-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 18853986

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide (CID 2932306) is 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is HDXULONANHJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S2/c1-10(24-12-5-3-4-11(18)8-12)16(21)20-17-19-14-7-6-13(26(2,22)23)9-15(14)25-17/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide?
2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 410.90 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 2932306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).