2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide

C28H18Cl2N4O2S4 — CID 17325039

IUPAC2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc2ccc(NC(=O)CSc3nc4cc(Cl)ccc4s3)cc2c1
InChIInChI=1S/C28H18Cl2N4O2S4/c29-17-3-7-23-21(11-17)33-27(39-23)37-13-25(35)31-19-5-1-15-2-6-20(10-16(15)9-19)32-26(36)14-38-28-34-22-12-18(30)4-8-24(22)40-28/h1-12H,13-14H2,(H,31,35)(H,32,36)
InChIKeyDJPPBDSQSIOONT-UHFFFAOYSA-N
MW641.65 g/mol
LogP8.83
Rot. Bonds8

About 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide (PubChem CID 17325039) has the molecular formula C28H18Cl2N4O2S4 and a molecular weight of 641.65 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
PubChem CID17325039
Molecular FormulaC28H18Cl2N4O2S4
Molecular Weight641.65 g/mol
Exact Mass639.97
IUPAC Name2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
SMILESO=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc2ccc(NC(=O)CSc3nc4cc(Cl)ccc4s3)cc2c1
InChIInChI=1S/C28H18Cl2N4O2S4/c29-17-3-7-23-21(11-17)33-27(39-23)37-13-25(35)31-19-5-1-15-2-6-20(10-16(15)9-19)32-26(36)14-38-28-34-22-12-18(30)4-8-24(22)40-28/h1-12H,13-14H2,(H,31,35)(H,32,36)
InChIKeyDJPPBDSQSIOONT-UHFFFAOYSA-N
XLogP8.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.65
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide with MolForge

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Related Compounds

2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 5024075
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 3427027
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 7795978
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 8642901
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2359493
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 3850892
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 2338034
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 3923725
2-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4238642
N-butan-2-yl-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3940496
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide
CID 3463949

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide (CID 17325039) is 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide is O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc2ccc(NC(=O)CSc3nc4cc(Cl)ccc4s3)cc2c1.
What is the InChIKey of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide?
The InChIKey is DJPPBDSQSIOONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2N4O2S4/c29-17-3-7-23-21(11-17)33-27(39-23)37-13-25(35)31-19-5-1-15-2-6-20(10-16(15)9-19)32-26(36)14-38-28-34-22-12-18(30)4-8-24(22)40-28/h1-12H,13-14H2,(H,31,35)(H,32,36).
What are the key properties of 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide?
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide has a molecular weight of 641.65 g/mol, XLogP of 8.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide is sourced from PubChem (CID 17325039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).