N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide

C17H19N3O2S — CID 141061466

IUPACN-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(c2)SNCN3)cc1
InChIInChI=1S/C17H19N3O2S/c1-22-14-5-2-12(3-6-14)8-9-18-17(21)13-4-7-15-16(10-13)23-20-11-19-15/h2-7,10,19-20H,8-9,11H2,1H3,(H,18,21)
InChIKeyMDPQAAUJERDTAA-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.65
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide (PubChem CID 141061466) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide
PubChem CID141061466
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(c2)SNCN3)cc1
InChIInChI=1S/C17H19N3O2S/c1-22-14-5-2-12(3-6-14)8-9-18-17(21)13-4-7-15-16(10-13)23-20-11-19-15/h2-7,10,19-20H,8-9,11H2,1H3,(H,18,21)
InChIKeyMDPQAAUJERDTAA-UHFFFAOYSA-N
XLogP2.65
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 61092321
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901972
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide (CID 141061466) is N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide is COc1ccc(CCNC(=O)c2ccc3c(c2)SNCN3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
The InChIKey is MDPQAAUJERDTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-22-14-5-2-12(3-6-14)8-9-18-17(21)13-4-7-15-16(10-13)23-20-11-19-15/h2-7,10,19-20H,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxamide is sourced from PubChem (CID 141061466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).