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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Related Compounds

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)-2,3-dihydroindol-7-yl]acetamide
CID 122179027
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
2-[5-(Azetidin-1-ylsulfonyl)-1-benzyl-2-oxoindol-3-ylidene]propanedinitrile
CID 42618288
2-(1-Benzyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-3-ylidene)propanedinitrile
CID 42618291
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide
CID 2099879
1-acetyl-6-(2,3-dihydro-1H-indol-1-ylsulfonyl)indoline
CID 2940687

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).