3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide

C24H31N3O4S — CID 53092689

IUPAC3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)C(C)C)cc1
InChIInChI=1S/C24H31N3O4S/c1-16(2)13-23(28)26-20-6-8-21(9-7-20)32(30,31)25-15-18-5-10-22-19(14-18)11-12-27(22)24(29)17(3)4/h5-10,14,16-17,25H,11-13,15H2,1-4H3,(H,26,28)
InChIKeyPZVJMWLUJVTGFC-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.69
Rot. Bonds8

About 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide

3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide (PubChem CID 53092689) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide
PubChem CID53092689
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)C(C)C)cc1
InChIInChI=1S/C24H31N3O4S/c1-16(2)13-23(28)26-20-6-8-21(9-7-20)32(30,31)25-15-18-5-10-22-19(14-18)11-12-27(22)24(29)17(3)4/h5-10,14,16-17,25H,11-13,15H2,1-4H3,(H,26,28)
InChIKeyPZVJMWLUJVTGFC-UHFFFAOYSA-N
XLogP3.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092662
3-chloro-N-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092691
3-chloro-4-fluoro-N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092634
N-[[1-(3-methylbutanoyl)-2,3-dihydroindol-5-yl]methyl]propane-1-sulfonamide
CID 53092613
N-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-methylbutanamide
CID 53093528
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
CID 92742849
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
CID 110358460
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide (CID 53092689) is 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)C(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide?
The InChIKey is PZVJMWLUJVTGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-16(2)13-23(28)26-20-6-8-21(9-7-20)32(30,31)25-15-18-5-10-22-19(14-18)11-12-27(22)24(29)17(3)4/h5-10,14,16-17,25H,11-13,15H2,1-4H3,(H,26,28).
What are the key properties of 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide?
3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide has a molecular weight of 457.60 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]methylsulfamoyl]phenyl]butanamide is sourced from PubChem (CID 53092689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).