5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide

C22H19N3O3S3 — CID 55662733

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C22H19N3O3S3/c26-21(19-9-10-20(29-19)22-24-16-6-2-4-8-18(16)30-22)23-12-14-31(27,28)25-13-11-15-5-1-3-7-17(15)25/h1-10H,11-14H2,(H,23,26)
InChIKeyVWGFMZQIAPAPCY-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.15
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide (PubChem CID 55662733) has the molecular formula C22H19N3O3S3 and a molecular weight of 469.61 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide
PubChem CID55662733
Molecular FormulaC22H19N3O3S3
Molecular Weight469.61 g/mol
Exact Mass469.06
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C22H19N3O3S3/c26-21(19-9-10-20(29-19)22-24-16-6-2-4-8-18(16)30-22)23-12-14-31(27,28)25-13-11-15-5-1-3-7-17(15)25/h1-10H,11-14H2,(H,23,26)
InChIKeyVWGFMZQIAPAPCY-UHFFFAOYSA-N
XLogP4.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide
CID 46518495
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 47032475
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
5-(1,3-benzothiazol-2-yl)-N-[2-(benzylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 46461899
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 39315966
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 39300753
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55762289
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 4731587
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
CID 55662732
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112821757

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide (CID 55662733) is 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide is O=C(NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide?
The InChIKey is VWGFMZQIAPAPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S3/c26-21(19-9-10-20(29-19)22-24-16-6-2-4-8-18(16)30-22)23-12-14-31(27,28)25-13-11-15-5-1-3-7-17(15)25/h1-10H,11-14H2,(H,23,26).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55662733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).