2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C14H14N4O3S3 — CID 3244033

IUPAC2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H14N4O3S3/c1-18(9-13(19)15-8-10-4-3-7-22-10)24(20,21)12-6-2-5-11-14(12)17-23-16-11/h2-7H,8-9H2,1H3,(H,15,19)
InChIKeyOXIONGPZCGWCCU-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.69
Rot. Bonds6

About 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3244033) has the molecular formula C14H14N4O3S3 and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3244033
Molecular FormulaC14H14N4O3S3
Molecular Weight382.49 g/mol
Exact Mass382.02
IUPAC Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H14N4O3S3/c1-18(9-13(19)15-8-10-4-3-7-22-10)24(20,21)12-6-2-5-11-14(12)17-23-16-11/h2-7H,8-9H2,1H3,(H,15,19)
InChIKeyOXIONGPZCGWCCU-UHFFFAOYSA-N
XLogP1.69
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cyclohexylpropanamide
CID 4448276
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-cycloheptylpropanamide
CID 4458359
2-(N-Methyl2,1,3-benzothiadiazole-4-sulfonamido)-N-(3-methylbutyl)acetamide
CID 3237330
4-[(piazthiol-4-ylsulfonylamino)methyl]-N-(2-thenyl)cyclohexanecarboxamide
CID 9550221
rac-2-(benzo[c][1,2,5]thiadiazole-5-sulfonamido)-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 53317165
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N,N-dipropylpropanamide
CID 3241995
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-ethylhexyl)propanamide
CID 3236379
2-(2,1,3-Benzothiadiazole-4-sulfonyl)-N-phenylacetamide
CID 16031527
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-benzylpropanamide
CID 3235702
3-(2,1,3-Benzothiadiazole-4-sulfonamido)-N-[(thiophen-2-YL)methyl]propanamide
CID 3236377
N-(2-Ethylhexyl)-2-(N-methyl2,1,3-benzothiadiazole-4-sulfonamido)acetamide
CID 3237259
N~1~-(2-azepan-1-ylethyl)-N~2~-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 3238996

Frequently Asked Questions

What is the IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 3244033) is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OXIONGPZCGWCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S3/c1-18(9-13(19)15-8-10-4-3-7-22-10)24(20,21)12-6-2-5-11-14(12)17-23-16-11/h2-7H,8-9H2,1H3,(H,15,19).
What are the key properties of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3244033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).