3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide

C22H20N2O3S — CID 100557188

IUPAC3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C
InChIInChI=1S/C22H20N2O3S/c1-13(2)24-18-9-8-16(12-20(18)28-22(24)26)23-21(25)17-10-14-6-4-5-7-15(14)11-19(17)27-3/h4-13H,1-3H3,(H,23,25)
InChIKeyQSCOCPAWHBLVPS-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.06
Rot. Bonds4

About 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide

3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide (PubChem CID 100557188) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide
PubChem CID100557188
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C
InChIInChI=1S/C22H20N2O3S/c1-13(2)24-18-9-8-16(12-20(18)28-22(24)26)23-21(25)17-10-14-6-4-5-7-15(14)11-19(17)27-3/h4-13H,1-3H3,(H,23,25)
InChIKeyQSCOCPAWHBLVPS-UHFFFAOYSA-N
XLogP5.06
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)urea
CID 100561516
3,5-dimethoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100550125
2-(2-methoxyphenoxy)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244855
3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
2,5-dimethyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560457
2-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100560197
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 100550008
2-naphthalen-1-yloxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
CID 133244800
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 100554675
2-[(4-methoxyphenyl)methylsulfanyl]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)acetamide
CID 100549925
(2S)-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
CID 100559907
N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)-2-phenoxybutanamide
CID 133244909

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide (CID 100557188) is 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C.
What is the InChIKey of 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide?
The InChIKey is QSCOCPAWHBLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-13(2)24-18-9-8-16(12-20(18)28-22(24)26)23-21(25)17-10-14-6-4-5-7-15(14)11-19(17)27-3/h4-13H,1-3H3,(H,23,25).
What are the key properties of 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide?
3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 100557188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).