N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

C14H16N4O2S — CID 72925004

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)CN1CCCC1=O
InChIInChI=1S/C14H16N4O2S/c1-17(14(20)9-18-6-2-3-13(18)19)8-10-4-5-11-12(7-10)16-21-15-11/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyVAENTQBVHRLGMP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.27
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 72925004) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID72925004
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)CN1CCCC1=O
InChIInChI=1S/C14H16N4O2S/c1-17(14(20)9-18-6-2-3-13(18)19)8-10-4-5-11-12(7-10)16-21-15-11/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyVAENTQBVHRLGMP-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5Z)-5-(2,1,3-benzothiadiazol-5-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 70682240
1-(2-amino-2-oxoethyl)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidinecarboxamide
CID 70712950
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-methylacetamide
CID 72871243
2-[(1S*,5R*)-6-(2,1,3-benzothiadiazol-5-ylmethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-N,N-dimethylacetamide
CID 133109782
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(cyclopentylcarbonyl)-N-methyl-4-piperidinecarboxamide
CID 72918300
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(2-phenylethyl)-3-piperidinecarboxamide
CID 45185878
N-(2,1,3-Benzothiadiazol-5-ylmethyl)-N-methyl-4-(2-oxopyrrolidin-1-YL)benzamide
CID 72862077
3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidinyl]-N-benzyl-N-methylpropanamide
CID 25366346
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methylacetamide
CID 45182709
N~1~-(2,1,3-benzothiadiazol-5-ylmethyl)-D-leucinamide
CID 56869453
2-[(1S,5R)-6-(2,1,3-benzothiadiazol-5-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
CID 70738771
1-(2,1,3-Benzothiadiazol-5-ylmethyl)-4-(2-fluorobenzyl)-1,4-diazepan-5-one
CID 25365295

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide (CID 72925004) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is CN(Cc1ccc2nsnc2c1)C(=O)CN1CCCC1=O.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is VAENTQBVHRLGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-17(14(20)9-18-6-2-3-13(18)19)8-10-4-5-11-12(7-10)16-21-15-11/h4-5,7H,2-3,6,8-9H2,1H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 72925004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).