N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

C22H26N2O3S — CID 16935507

IUPACN-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCCCCN(C)C(=O)Cn1cc(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C22H26N2O3S/c1-4-5-14-23(3)22(25)16-24-15-21(19-8-6-7-9-20(19)24)28(26,27)18-12-10-17(2)11-13-18/h6-13,15H,4-5,14,16H2,1-3H3
InChIKeyQYQVWRRQWUBDIM-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.04
Rot. Bonds7

About N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935507) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935507
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCCCCN(C)C(=O)Cn1cc(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C22H26N2O3S/c1-4-5-14-23(3)22(25)16-24-15-21(19-8-6-7-9-20(19)24)28(26,27)18-12-10-17(2)11-13-18/h6-13,15H,4-5,14,16H2,1-3H3
InChIKeyQYQVWRRQWUBDIM-UHFFFAOYSA-N
XLogP4.04
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-N-benzyl-N-methylacetamide
CID 16935296
N-butyl-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 30560884
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
butyl 4-[[2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetyl]amino]benzoate
CID 16935654
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 16935293
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935594
2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16935299
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (CID 16935507) is N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is CCCCN(C)C(=O)Cn1cc(S(=O)(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is QYQVWRRQWUBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-4-5-14-23(3)22(25)16-24-15-21(19-8-6-7-9-20(19)24)28(26,27)18-12-10-17(2)11-13-18/h6-13,15H,4-5,14,16H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).