1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide

C25H31N3O3S — CID 47093267

IUPAC1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(c3ccc4[nH]ccc4c3)C(C)CC(C)C)cc2CC1C
InChIInChI=1S/C25H31N3O3S/c1-16(2)12-18(4)28(22-6-8-24-20(14-22)10-11-26-24)32(30,31)23-7-9-25-21(15-23)13-17(3)27(25)19(5)29/h6-11,14-18,26H,12-13H2,1-5H3
InChIKeyHJUSPKPPVXFBOY-UHFFFAOYSA-N
MW453.61 g/mol
LogP5.10
Rot. Bonds6

About 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 47093267) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID47093267
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC Name1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(c3ccc4[nH]ccc4c3)C(C)CC(C)C)cc2CC1C
InChIInChI=1S/C25H31N3O3S/c1-16(2)12-18(4)28(22-6-8-24-20(14-22)10-11-26-24)32(30,31)23-7-9-25-21(15-23)13-17(3)27(25)19(5)29/h6-11,14-18,26H,12-13H2,1-5H3
InChIKeyHJUSPKPPVXFBOY-UHFFFAOYSA-N
XLogP5.10
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.61
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 47093267) is 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)N(c3ccc4[nH]ccc4c3)C(C)CC(C)C)cc2CC1C.
What is the InChIKey of 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HJUSPKPPVXFBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-16(2)12-18(4)28(22-6-8-24-20(14-22)10-11-26-24)32(30,31)23-7-9-25-21(15-23)13-17(3)27(25)19(5)29/h6-11,14-18,26H,12-13H2,1-5H3.
What are the key properties of 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1H-indol-5-yl)-2-methyl-N-(4-methylpentan-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 47093267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).