N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide

C17H18N2O3S — CID 788728

IUPACN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-2-17(20)18-14-7-9-15(10-8-14)23(21,22)19-12-11-13-5-3-4-6-16(13)19/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyKXXPQLCNYRLPOD-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide

N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide (PubChem CID 788728) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide
PubChem CID788728
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O3S/c1-2-17(20)18-14-7-9-15(10-8-14)23(21,22)19-12-11-13-5-3-4-6-16(13)19/h3-10H,2,11-12H2,1H3,(H,18,20)
InChIKeyKXXPQLCNYRLPOD-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide (CID 788728) is N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide?
The InChIKey is KXXPQLCNYRLPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-17(20)18-14-7-9-15(10-8-14)23(21,22)19-12-11-13-5-3-4-6-16(13)19/h3-10H,2,11-12H2,1H3,(H,18,20).
What are the key properties of N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide?
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide has a molecular weight of 330.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 788728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).