N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H17N3O3S — CID 73168514

IUPACN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc3nsnc3c2)OC)c1
InChIInChI=1S/C17H17N3O3S/c1-22-13-5-3-4-11(8-13)16(23-2)10-18-17(21)12-6-7-14-15(9-12)20-24-19-14/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKeyGEXIIDPEKTXDHJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.82
Rot. Bonds6

About N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 73168514) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID73168514
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc3nsnc3c2)OC)c1
InChIInChI=1S/C17H17N3O3S/c1-22-13-5-3-4-11(8-13)16(23-2)10-18-17(21)12-6-7-14-15(9-12)20-24-19-14/h3-9,16H,10H2,1-2H3,(H,18,21)
InChIKeyGEXIIDPEKTXDHJ-UHFFFAOYSA-N
XLogP2.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
N-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 97417689
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-4-thiophen-3-ylbenzamide
CID 90623429
3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623404
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 73168515
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 73168524
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623399
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 73168514) is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide is COc1cccc(C(CNC(=O)c2ccc3nsnc3c2)OC)c1.
What is the InChIKey of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is GEXIIDPEKTXDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-13-5-3-4-11(8-13)16(23-2)10-18-17(21)12-6-7-14-15(9-12)20-24-19-14/h3-9,16H,10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 73168514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).