N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide

C26H26N2O3S — CID 58975055

IUPACN-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
SMILESCCC(C)CNC(=O)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O3S/c1-3-19(2)17-27-26(29)21-13-15-22(16-14-21)32(30,31)28-18-24(20-9-5-4-6-10-20)23-11-7-8-12-25(23)28/h4-16,18-19H,3,17H2,1-2H3,(H,27,29)
InChIKeyGGBFFBVUWLHHBB-UHFFFAOYSA-N
MW446.57 g/mol
LogP5.32
Rot. Bonds7

About N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide

N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide (PubChem CID 58975055) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
PubChem CID58975055
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
SMILESCCC(C)CNC(=O)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O3S/c1-3-19(2)17-27-26(29)21-13-15-22(16-14-21)32(30,31)28-18-24(20-9-5-4-6-10-20)23-11-7-8-12-25(23)28/h4-16,18-19H,3,17H2,1-2H3,(H,27,29)
InChIKeyGGBFFBVUWLHHBB-UHFFFAOYSA-N
XLogP5.32
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
CID 58975151
N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855813
N-[1-(4-methylphenyl)azetidin-3-yl]-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855815
(4,4-difluoropiperidin-1-yl)-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 58975205
N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
CID 58975171
4-[[[1-(benzenesulfonyl)indole-3-carbonyl]amino]methyl]benzoic acid
CID 174661053
1-(benzenesulfonyl)-3-pyridin-4-ylindole
CID 162652278
1-(4-butylphenyl)sulfonylindole-3-carboxylic acid
CID 59596767
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
[3-(4-fluoroanilino)pyrrolidin-1-yl]-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 67023311
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
[3-[[(6-fluoro-2-pyridinyl)amino]methyl]azetidin-1-yl]-[4-(3-phenylindol-1-yl)sulfonylphenyl]methanone
CID 58975016

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide (CID 58975055) is N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide is CCC(C)CNC(=O)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
The InChIKey is GGBFFBVUWLHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-3-19(2)17-27-26(29)21-13-15-22(16-14-21)32(30,31)28-18-24(20-9-5-4-6-10-20)23-11-7-8-12-25(23)28/h4-16,18-19H,3,17H2,1-2H3,(H,27,29).
What are the key properties of N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide?
N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide has a molecular weight of 446.57 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide is sourced from PubChem (CID 58975055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).