N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C18H18N2O3S — CID 767757

IUPACN-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C18H18N2O3S/c1-23-15-8-4-2-6-13(15)12-19-17(21)10-11-20-14-7-3-5-9-16(14)24-18(20)22/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyRTBAIDSCLPYWTN-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.78
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767757) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767757
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C18H18N2O3S/c1-23-15-8-4-2-6-13(15)12-19-17(21)10-11-20-14-7-3-5-9-16(14)24-18(20)22/h2-9H,10-12H2,1H3,(H,19,21)
InChIKeyRTBAIDSCLPYWTN-UHFFFAOYSA-N
XLogP2.78
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767757) is N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is COc1ccccc1CNC(=O)CCn1c(=O)sc2ccccc21.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is RTBAIDSCLPYWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-15-8-4-2-6-13(15)12-19-17(21)10-11-20-14-7-3-5-9-16(14)24-18(20)22/h2-9H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).