3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

C19H20N2O4S — CID 100550125

IUPAC3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1
InChIInChI=1S/C19H20N2O4S/c1-11(2)21-16-6-5-13(9-17(16)26-19(21)23)20-18(22)12-7-14(24-3)10-15(8-12)25-4/h5-11H,1-4H3,(H,20,22)
InChIKeySURZFCMFVMSADC-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.91
Rot. Bonds5

About 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide

3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 100550125) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
PubChem CID100550125
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1
InChIInChI=1S/C19H20N2O4S/c1-11(2)21-16-6-5-13(9-17(16)26-19(21)23)20-18(22)12-7-14(24-3)10-15(8-12)25-4/h5-11H,1-4H3,(H,20,22)
InChIKeySURZFCMFVMSADC-UHFFFAOYSA-N
XLogP3.91
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide
CID 100557188
2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560197
2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100549925
1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 100550008
2-(2-methoxyphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244855
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 125075075
2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560457
4-[(2-chlorophenyl)methoxy]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100555607
4-[ethylsulfonyl(methyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553547
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 100554675

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide (CID 100550125) is 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is SURZFCMFVMSADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-11(2)21-16-6-5-13(9-17(16)26-19(21)23)20-18(22)12-7-14(24-3)10-15(8-12)25-4/h5-11H,1-4H3,(H,20,22).
What are the key properties of 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide?
3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 372.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 100550125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).