N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C19H22N2O3S — CID 15990558

IUPACN-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-3-19(22)21-11-10-16-12-17(8-9-18(16)21)25(23,24)20-13-15-6-4-14(2)5-7-15/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyMYECPPORXHALPR-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.77
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 15990558) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID15990558
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-3-19(22)21-11-10-16-12-17(8-9-18(16)21)25(23,24)20-13-15-6-4-14(2)5-7-15/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyMYECPPORXHALPR-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 15990558) is N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MYECPPORXHALPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-19(22)21-11-10-16-12-17(8-9-18(16)21)25(23,24)20-13-15-6-4-14(2)5-7-15/h4-9,12,20H,3,10-11,13H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15990558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).