N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

C21H25N3O4S — CID 3241873

IUPACN-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C21H25N3O4S/c1-3-21(26)24-13-11-16-14-17(8-9-19(16)24)29(27,28)22-12-10-20(25)23-18-7-5-4-6-15(18)2/h4-9,14,22H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyUGIINWACAMDMBQ-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.60
Rot. Bonds7

About N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (PubChem CID 3241873) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
PubChem CID3241873
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3C)ccc21
InChIInChI=1S/C21H25N3O4S/c1-3-21(26)24-13-11-16-14-17(8-9-19(16)24)29(27,28)22-12-10-20(25)23-18-7-5-4-6-15(18)2/h4-9,14,22H,3,10-13H2,1-2H3,(H,23,25)
InChIKeyUGIINWACAMDMBQ-UHFFFAOYSA-N
XLogP2.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The IUPAC name of N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (CID 3241873) is N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccccc3C)ccc21.
What is the InChIKey of N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The InChIKey is UGIINWACAMDMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-3-21(26)24-13-11-16-14-17(8-9-19(16)24)29(27,28)22-12-10-20(25)23-18-7-5-4-6-15(18)2/h4-9,14,22H,3,10-13H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
N-(2-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide has a molecular weight of 415.52 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-methylphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is sourced from PubChem (CID 3241873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).