N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C24H23N3O4S — CID 55549519

IUPACN-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(NCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c28-23(19-8-2-1-3-9-19)25-14-15-26-24(29)20-10-6-11-21(17-20)32(30,31)27-16-13-18-7-4-5-12-22(18)27/h1-12,17H,13-16H2,(H,25,28)(H,26,29)
InChIKeyAKTOHWHNPVJMMP-UHFFFAOYSA-N
MW449.53 g/mol
LogP2.60
Rot. Bonds7

About N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 55549519) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID55549519
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(NCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1
InChIInChI=1S/C24H23N3O4S/c28-23(19-8-2-1-3-9-19)25-14-15-26-24(29)20-10-6-11-21(17-20)32(30,31)27-16-13-18-7-4-5-12-22(18)27/h1-12,17H,13-16H2,(H,25,28)(H,26,29)
InChIKeyAKTOHWHNPVJMMP-UHFFFAOYSA-N
XLogP2.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 55646957
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 24542710
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 2458986
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9204709
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 41194380
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 55549519) is N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(NCCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is AKTOHWHNPVJMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-23(19-8-2-1-3-9-19)25-14-15-26-24(29)20-10-6-11-21(17-20)32(30,31)27-16-13-18-7-4-5-12-22(18)27/h1-12,17H,13-16H2,(H,25,28)(H,26,29).
What are the key properties of N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide has a molecular weight of 449.53 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 55549519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).