N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C20H24N2O3S — CID 3235643

IUPACN-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N(CC)c3cccc(C)c3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-4-20(23)21-12-11-16-14-18(9-10-19(16)21)26(24,25)22(5-2)17-8-6-7-15(3)13-17/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyACYTXPCPYQUQDF-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.51
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 3235643) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID3235643
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)N(CC)c3cccc(C)c3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-4-20(23)21-12-11-16-14-18(9-10-19(16)21)26(24,25)22(5-2)17-8-6-7-15(3)13-17/h6-10,13-14H,4-5,11-12H2,1-3H3
InChIKeyACYTXPCPYQUQDF-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 3235643) is N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)N(CC)c3cccc(C)c3)ccc21.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ACYTXPCPYQUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-20(23)21-12-11-16-14-18(9-10-19(16)21)26(24,25)22(5-2)17-8-6-7-15(3)13-17/h6-10,13-14H,4-5,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3235643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).