1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide

C19H20N4O3S — CID 31844142

IUPAC1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCc3cn4ccccc4n3)ccc21
InChIInChI=1S/C19H20N4O3S/c1-14(24)23-11-8-15-12-17(5-6-18(15)23)27(25,26)20-9-7-16-13-22-10-3-2-4-19(22)21-16/h2-6,10,12-13,20H,7-9,11H2,1H3
InChIKeyNQEMOQIZKSPKMJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.76
Rot. Bonds5

About 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 31844142) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID31844142
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCc3cn4ccccc4n3)ccc21
InChIInChI=1S/C19H20N4O3S/c1-14(24)23-11-8-15-12-17(5-6-18(15)23)27(25,26)20-9-7-16-13-22-10-3-2-4-19(22)21-16/h2-6,10,12-13,20H,7-9,11H2,1H3
InChIKeyNQEMOQIZKSPKMJ-UHFFFAOYSA-N
XLogP1.76
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 31844201
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,4-dimethylbenzenesulfonamide
CID 3367442
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 78820847
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 7150777
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide (CID 31844142) is 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCc3cn4ccccc4n3)ccc21.
What is the InChIKey of 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NQEMOQIZKSPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14(24)23-11-8-15-12-17(5-6-18(15)23)27(25,26)20-9-7-16-13-22-10-3-2-4-19(22)21-16/h2-6,10,12-13,20H,7-9,11H2,1H3.
What are the key properties of 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 31844142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).