3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide

C20H24N4O5S — CID 18207241

IUPAC3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C20H24N4O5S/c1-29-16-4-2-15(3-5-16)23(10-9-19(21)25)13-20(26)24-11-8-14-12-17(30(22,27)28)6-7-18(14)24/h2-7,12H,8-11,13H2,1H3,(H2,21,25)(H2,22,27,28)
InChIKeyUHARKPFCRGEDNO-UHFFFAOYSA-N
MW432.50 g/mol
LogP0.61
Rot. Bonds8

About 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide

3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide (PubChem CID 18207241) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide
PubChem CID18207241
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1
InChIInChI=1S/C20H24N4O5S/c1-29-16-4-2-15(3-5-16)23(10-9-19(21)25)13-20(26)24-11-8-14-12-17(30(22,27)28)6-7-18(14)24/h2-7,12H,8-11,13H2,1H3,(H2,21,25)(H2,22,27,28)
InChIKeyUHARKPFCRGEDNO-UHFFFAOYSA-N
XLogP0.61
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxy-N-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]anilino)propanamide
CID 18127355
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43898779
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[4-(4-tert-butylphenoxy)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 17497175
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55864125
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 15994355
1-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16618560
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide?
The IUPAC name of 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide (CID 18207241) is 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide.
What is the SMILES notation for 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide?
The canonical SMILES for 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1.
What is the InChIKey of 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide?
The InChIKey is UHARKPFCRGEDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-29-16-4-2-15(3-5-16)23(10-9-19(21)25)13-20(26)24-11-8-14-12-17(30(22,27)28)6-7-18(14)24/h2-7,12H,8-11,13H2,1H3,(H2,21,25)(H2,22,27,28).
What are the key properties of 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide?
3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide has a molecular weight of 432.50 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide is sourced from PubChem (CID 18207241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).