N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide

C18H19N3O2S2 — CID 90611073

IUPACN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(c1ccc2nsnc2c1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H19N3O2S2/c22-18(13-3-4-16-17(12-13)20-25-19-16)21(14-6-9-23-10-7-14)8-5-15-2-1-11-24-15/h1-4,11-12,14H,5-10H2
InChIKeyCBQMZQCNSDPEHC-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.62
Rot. Bonds5

About N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide

N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 90611073) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID90611073
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(c1ccc2nsnc2c1)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C18H19N3O2S2/c22-18(13-3-4-16-17(12-13)20-25-19-16)21(14-6-9-23-10-7-14)8-5-15-2-1-11-24-15/h1-4,11-12,14H,5-10H2
InChIKeyCBQMZQCNSDPEHC-UHFFFAOYSA-N
XLogP3.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71796138
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
1-(oxan-4-yl)-3-prop-2-enyl-1-(2-thiophen-2-ylethyl)urea
CID 90611125
2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 90610942
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
2-ethoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 90610971
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 90611073) is N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide is O=C(c1ccc2nsnc2c1)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is CBQMZQCNSDPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-18(13-3-4-16-17(12-13)20-25-19-16)21(14-6-9-23-10-7-14)8-5-15-2-1-11-24-15/h1-4,11-12,14H,5-10H2.
What are the key properties of N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 90611073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).