N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide

C17H16N2O2S — CID 18110654

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O2S/c1-21-13-8-6-12(7-9-13)10-16(20)18-11-17-19-14-4-2-3-5-15(14)22-17/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyLEFDWMQRQOBRRC-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.16
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 18110654) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
PubChem CID18110654
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O2S/c1-21-13-8-6-12(7-9-13)10-16(20)18-11-17-19-14-4-2-3-5-15(14)22-17/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyLEFDWMQRQOBRRC-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 134049696
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9390929
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
N-[(4-methoxyphenyl)methyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 58470194
1-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38167322
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
3-(1,3-benzothiazol-2-yl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 55920680
N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55338840
2-phenyl-N-[[2-[[(2-phenylacetyl)amino]methyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methyl]acetamide
CID 17325456

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide (CID 18110654) is N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is LEFDWMQRQOBRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-13-8-6-12(7-9-13)10-16(20)18-11-17-19-14-4-2-3-5-15(14)22-17/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18110654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).