2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide

C19H18ClN3O4S3 — CID 3909303

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18ClN3O4S3/c20-14-6-5-13(11-17(14)30(25,26)23-7-9-27-10-8-23)21-18(24)12-28-19-22-15-3-1-2-4-16(15)29-19/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyTXZQYNNBEQSJIT-UHFFFAOYSA-N
MW484.02 g/mol
LogP3.70
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3909303) has the molecular formula C19H18ClN3O4S3 and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3909303
Molecular FormulaC19H18ClN3O4S3
Molecular Weight484.02 g/mol
Exact Mass483.01
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H18ClN3O4S3/c20-14-6-5-13(11-17(14)30(25,26)23-7-9-27-10-8-23)21-18(24)12-28-19-22-15-3-1-2-4-16(15)29-19/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyTXZQYNNBEQSJIT-UHFFFAOYSA-N
XLogP3.70
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3909303) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is TXZQYNNBEQSJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S3/c20-14-6-5-13(11-17(14)30(25,26)23-7-9-27-10-8-23)21-18(24)12-28-19-22-15-3-1-2-4-16(15)29-19/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 484.02 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3909303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).