N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide

C16H21N3O3S — CID 91840455

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)COCC1CCCCO1
InChIInChI=1S/C16H21N3O3S/c1-19(9-12-5-6-14-15(8-12)18-23-17-14)16(20)11-21-10-13-4-2-3-7-22-13/h5-6,8,13H,2-4,7,9-11H2,1H3
InChIKeyWADITSPHHNFJDQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.24
Rot. Bonds6

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 91840455) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
PubChem CID91840455
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)COCC1CCCCO1
InChIInChI=1S/C16H21N3O3S/c1-19(9-12-5-6-14-15(8-12)18-23-17-14)16(20)11-21-10-13-4-2-3-7-22-13/h5-6,8,13H,2-4,7,9-11H2,1H3
InChIKeyWADITSPHHNFJDQ-UHFFFAOYSA-N
XLogP2.24
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124853248
N-[(3-cyanophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 86868338
N-methyl-2-[[(2R)-oxan-2-yl]methoxy]-N-(2-pyridin-4-ylethyl)acetamide
CID 99933824
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124749409
N-(3-aminopropyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 43254240
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(oxan-2-ylmethoxy)acetamide
CID 91775564
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937943
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99937942
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95271481
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423595

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide (CID 91840455) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide is CN(Cc1ccc2nsnc2c1)C(=O)COCC1CCCCO1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is WADITSPHHNFJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19(9-12-5-6-14-15(8-12)18-23-17-14)16(20)11-21-10-13-4-2-3-7-22-13/h5-6,8,13H,2-4,7,9-11H2,1H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 91840455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).