N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C18H18N2O2S2 — CID 100535339

IUPACN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1
InChIInChI=1S/C18H18N2O2S2/c1-12-4-3-5-13(8-12)10-23-11-17(21)19-14-6-7-15-16(9-14)24-18(22)20(15)2/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyAXISOQDLTJROGP-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.78
Rot. Bonds5

About N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 100535339) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID100535339
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1
InChIInChI=1S/C18H18N2O2S2/c1-12-4-3-5-13(8-12)10-23-11-17(21)19-14-6-7-15-16(9-14)24-18(22)20(15)2/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyAXISOQDLTJROGP-UHFFFAOYSA-N
XLogP3.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100525689
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 100537432
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 100533092
methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
CID 22577323
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 38585805
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100547326
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(4-methyl-2-oxochromen-7-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17488318
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100537743
2-[(3-methylphenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18081156
N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 26371180

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 100535339) is N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C)c1.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is AXISOQDLTJROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12-4-3-5-13(8-12)10-23-11-17(21)19-14-6-7-15-16(9-14)24-18(22)20(15)2/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 100535339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).