1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

C19H19N3O3S2 — CID 46970376

IUPAC1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C)c3nc4ccccc4s3)ccc21
InChIInChI=1S/C19H19N3O3S2/c1-12(19-20-16-5-3-4-6-18(16)26-19)21-27(24,25)15-7-8-17-14(11-15)9-10-22(17)13(2)23/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeyOWVZUAOXUFHBMB-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.24
Rot. Bonds4

About 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 46970376) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46970376
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC Name1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C)c3nc4ccccc4s3)ccc21
InChIInChI=1S/C19H19N3O3S2/c1-12(19-20-16-5-3-4-6-18(16)26-19)21-27(24,25)15-7-8-17-14(11-15)9-10-22(17)13(2)23/h3-8,11-12,21H,9-10H2,1-2H3
InChIKeyOWVZUAOXUFHBMB-UHFFFAOYSA-N
XLogP3.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55434379
1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
CID 55703530
1-[5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26528760
1-acetyl-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 16582038
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
1-acetyl-N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 86910202
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 46970376) is 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(C)c3nc4ccccc4s3)ccc21.
What is the InChIKey of 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OWVZUAOXUFHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-12(19-20-16-5-3-4-6-18(16)26-19)21-27(24,25)15-7-8-17-14(11-15)9-10-22(17)13(2)23/h3-8,11-12,21H,9-10H2,1-2H3.
What are the key properties of 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 401.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46970376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).