1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C21H26N2O6S — CID 20909708

IUPAC1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc(OC)c1OC
InChIInChI=1S/C21H26N2O6S/c1-13-8-16-11-17(6-7-18(16)23(13)14(2)24)30(25,26)22-12-15-9-19(27-3)21(29-5)20(10-15)28-4/h6-7,9-11,13,22H,8,12H2,1-5H3
InChIKeyKJKDGZYJMNDBBW-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.49
Rot. Bonds7

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

1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 20909708) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID20909708
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc(OC)c1OC
InChIInChI=1S/C21H26N2O6S/c1-13-8-16-11-17(6-7-18(16)23(13)14(2)24)30(25,26)22-12-15-9-19(27-3)21(29-5)20(10-15)28-4/h6-7,9-11,13,22H,8,12H2,1-5H3
InChIKeyKJKDGZYJMNDBBW-UHFFFAOYSA-N
XLogP2.49
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 20909708) is 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is COc1cc(CNS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc(OC)c1OC.
What is the InChIKey of 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KJKDGZYJMNDBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-13-8-16-11-17(6-7-18(16)23(13)14(2)24)30(25,26)22-12-15-9-19(27-3)21(29-5)20(10-15)28-4/h6-7,9-11,13,22H,8,12H2,1-5H3.
What are the key properties of 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 434.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20909708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).