N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide

C19H22N2O2S2 — CID 24546481

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C19H22N2O2S2/c1-5-21(11-16(22)20-19(2,3)4)18(23)15-10-14-17(25-15)12-8-6-7-9-13(12)24-14/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeyNQGOUXZXWLDVKM-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.49
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide (PubChem CID 24546481) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide
PubChem CID24546481
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cc2sc3ccccc3c2s1
InChIInChI=1S/C19H22N2O2S2/c1-5-21(11-16(22)20-19(2,3)4)18(23)15-10-14-17(25-15)12-8-6-7-9-13(12)24-14/h6-10H,5,11H2,1-4H3,(H,20,22)
InChIKeyNQGOUXZXWLDVKM-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide (CID 24546481) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc2sc3ccccc3c2s1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide?
The InChIKey is NQGOUXZXWLDVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c1-5-21(11-16(22)20-19(2,3)4)18(23)15-10-14-17(25-15)12-8-6-7-9-13(12)24-14/h6-10H,5,11H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylthieno[3,2-b][1]benzothiole-2-carboxamide is sourced from PubChem (CID 24546481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).