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

C27H28N2O3S — CID 132918897

IUPACN-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
SMILESCCCCc1c(NC(=O)Cc2ccccc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H28N2O3S/c1-3-4-13-25-27(28-26(30)19-21-10-6-5-7-11-21)23-12-8-9-14-24(23)29(25)33(31,32)22-17-15-20(2)16-18-22/h5-12,14-18H,3-4,13,19H2,1-2H3,(H,28,30)
InChIKeyWMNKBNRRFUNDJI-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.71
Rot. Bonds8

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

N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide (PubChem CID 132918897) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
PubChem CID132918897
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC NameN-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
SMILESCCCCc1c(NC(=O)Cc2ccccc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H28N2O3S/c1-3-4-13-25-27(28-26(30)19-21-10-6-5-7-11-21)23-12-8-9-14-24(23)29(25)33(31,32)22-17-15-20(2)16-18-22/h5-12,14-18H,3-4,13,19H2,1-2H3,(H,28,30)
InChIKeyWMNKBNRRFUNDJI-UHFFFAOYSA-N
XLogP5.71
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide
CID 138983524
3-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]propanal
CID 101417591
methyl 2-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylindol-2-yl]acetate
CID 134933724
1-N-benzyl-2-N-[2-butyl-5-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]benzene-1,2-diamine
CID 71483268
N,N-dibenzyl-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]ethanamine
CID 177394867
[2-butyl-1-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-1H-cyclopenta[b]indol-3-yl] acetate
CID 122386931
methyl 5-butyl-11-methyl-12-(4-methylphenyl)sulfonylindolo[2,3-a]carbazole-6-carboxylate
CID 11813524
2-hexyl-1-(4-methylphenyl)sulfonylquinolin-4-one
CID 132575549
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
CID 162411610
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
3-[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]-1-naphthalen-1-ylpropan-1-one
CID 73057636
1-(4-methylphenyl)sulfonyl-3-pentanoylbenzimidazol-2-one
CID 7226489

Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide (CID 132918897) is N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide is CCCCc1c(NC(=O)Cc2ccccc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
The InChIKey is WMNKBNRRFUNDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-3-4-13-25-27(28-26(30)19-21-10-6-5-7-11-21)23-12-8-9-14-24(23)29(25)33(31,32)22-17-15-20(2)16-18-22/h5-12,14-18H,3-4,13,19H2,1-2H3,(H,28,30).
What are the key properties of N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide?
N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide has a molecular weight of 460.60 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 132918897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).