3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide

C14H13N3O3S3 — CID 5083233

IUPAC3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nsnc12)NCc1cccs1
InChIInChI=1S/C14H13N3O3S3/c18-13(15-9-10-3-2-7-21-10)6-8-23(19,20)12-5-1-4-11-14(12)17-22-16-11/h1-5,7H,6,8-9H2,(H,15,18)
InChIKeyFMDHSJACJLUIEI-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.23
Rot. Bonds6

About 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide

3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 5083233) has the molecular formula C14H13N3O3S3 and a molecular weight of 367.48 g/mol. Its IUPAC name is 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID5083233
Molecular FormulaC14H13N3O3S3
Molecular Weight367.48 g/mol
Exact Mass367.01
IUPAC Name3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc2nsnc12)NCc1cccs1
InChIInChI=1S/C14H13N3O3S3/c18-13(15-9-10-3-2-7-21-10)6-8-23(19,20)12-5-1-4-11-14(12)17-22-16-11/h1-5,7H,6,8-9H2,(H,15,18)
InChIKeyFMDHSJACJLUIEI-UHFFFAOYSA-N
XLogP2.23
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide (CID 5083233) is 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1cccc2nsnc12)NCc1cccs1.
What is the InChIKey of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is FMDHSJACJLUIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S3/c18-13(15-9-10-3-2-7-21-10)6-8-23(19,20)12-5-1-4-11-14(12)17-22-16-11/h1-5,7H,6,8-9H2,(H,15,18).
What are the key properties of 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 367.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 5083233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).