4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide

C19H22N2O4S — CID 53092470

IUPAC4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
SMILESCCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C19H22N2O4S/c1-3-19(22)21-11-10-15-12-14(4-9-18(15)21)13-20-26(23,24)17-7-5-16(25-2)6-8-17/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyXFZIEANMILRDQS-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.47
Rot. Bonds6

About 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide

4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide (PubChem CID 53092470) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
PubChem CID53092470
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
SMILESCCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C19H22N2O4S/c1-3-19(22)21-11-10-15-12-14(4-9-18(15)21)13-20-26(23,24)17-7-5-16(25-2)6-8-17/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyXFZIEANMILRDQS-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100502862
4-bromo-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092662
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
N-[(2-ethoxyphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100505396
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513
N-[[1-(4-chlorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092587
N-[[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 53092608
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide (CID 53092470) is 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide is CCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(OC)cc3)ccc21.
What is the InChIKey of 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide?
The InChIKey is XFZIEANMILRDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-19(22)21-11-10-15-12-14(4-9-18(15)21)13-20-26(23,24)17-7-5-16(25-2)6-8-17/h4-9,12,20H,3,10-11,13H2,1-2H3.
What are the key properties of 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide?
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53092470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).