N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C24H18N2O3S — CID 8001424

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1ccccc1N(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2O3S/c1-15-8-2-6-12-19(15)26(24-25-18-11-5-7-13-21(18)30-24)22(27)14-20-16-9-3-4-10-17(16)23(28)29-20/h2-13,20H,14H2,1H3/t20-/m0/s1
InChIKeyBXVQJBQHKGCQRR-FQEVSTJZSA-N
MW414.49 g/mol
LogP5.57
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 8001424) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID8001424
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1ccccc1N(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1nc2ccccc2s1
InChIInChI=1S/C24H18N2O3S/c1-15-8-2-6-12-19(15)26(24-25-18-11-5-7-13-21(18)30-24)22(27)14-20-16-9-3-4-10-17(16)23(28)29-20/h2-13,20H,14H2,1H3/t20-/m0/s1
InChIKeyBXVQJBQHKGCQRR-FQEVSTJZSA-N
XLogP5.57
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8582567
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CID 55381162
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N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 9206111
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(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
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CID 55333597
3-[2-(2-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 8001424) is N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is Cc1ccccc1N(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is BXVQJBQHKGCQRR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H18N2O3S/c1-15-8-2-6-12-19(15)26(24-25-18-11-5-7-13-21(18)30-24)22(27)14-20-16-9-3-4-10-17(16)23(28)29-20/h2-13,20H,14H2,1H3/t20-/m0/s1.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 8001424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).