N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide

C21H26N2O4S — CID 53102687

IUPACN-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)C(C)C2
InChIInChI=1S/C21H26N2O4S/c1-4-11-28(25,26)22-14-16-5-6-18-12-15(2)23(20(18)13-16)21(24)17-7-9-19(27-3)10-8-17/h5-10,13,15,22H,4,11-12,14H2,1-3H3
InChIKeyNJBMUJAMULPPPZ-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.12
Rot. Bonds7

About N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide

N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide (PubChem CID 53102687) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
PubChem CID53102687
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)C(C)C2
InChIInChI=1S/C21H26N2O4S/c1-4-11-28(25,26)22-14-16-5-6-18-12-15(2)23(20(18)13-16)21(24)17-7-9-19(27-3)10-8-17/h5-10,13,15,22H,4,11-12,14H2,1-3H3
InChIKeyNJBMUJAMULPPPZ-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide (CID 53102687) is N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)C(C)C2.
What is the InChIKey of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
The InChIKey is NJBMUJAMULPPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-11-28(25,26)22-14-16-5-6-18-12-15(2)23(20(18)13-16)21(24)17-7-9-19(27-3)10-8-17/h5-10,13,15,22H,4,11-12,14H2,1-3H3.
What are the key properties of N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide?
N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxybenzoyl)-2-methyl-2,3-dihydroindol-6-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 53102687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).