2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide

C20H20ClN3O2S2 — CID 24603904

IUPAC2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSCc1nc2ccccc2s1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C20H20ClN3O2S2/c21-14-4-3-6-16(20(14)24-8-10-26-11-9-24)22-18(25)12-27-13-19-23-15-5-1-2-7-17(15)28-19/h1-7H,8-13H2,(H,22,25)
InChIKeyJGKIRMNPGFSBLR-UHFFFAOYSA-N
MW433.99 g/mol
LogP4.66
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide (PubChem CID 24603904) has the molecular formula C20H20ClN3O2S2 and a molecular weight of 433.99 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
PubChem CID24603904
Molecular FormulaC20H20ClN3O2S2
Molecular Weight433.99 g/mol
Exact Mass433.07
IUPAC Name2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSCc1nc2ccccc2s1)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C20H20ClN3O2S2/c21-14-4-3-6-16(20(14)24-8-10-26-11-9-24)22-18(25)12-27-13-19-23-15-5-1-2-7-17(15)28-19/h1-7H,8-13H2,(H,22,25)
InChIKeyJGKIRMNPGFSBLR-UHFFFAOYSA-N
XLogP4.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.99
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-chloro-2-(dimethylamino)phenyl]acetamide
CID 55763157
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 41269093
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 56735268
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]acetamide
CID 55762245
3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 30460306
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 134064845
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 38810609
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 4000590

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide (CID 24603904) is 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide is O=C(CSCc1nc2ccccc2s1)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
The InChIKey is JGKIRMNPGFSBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S2/c21-14-4-3-6-16(20(14)24-8-10-26-11-9-24)22-18(25)12-27-13-19-23-15-5-1-2-7-17(15)28-19/h1-7H,8-13H2,(H,22,25).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide?
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide has a molecular weight of 433.99 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 24603904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).