N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide

C21H24N2O3S — CID 119048650

IUPACN-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)CCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H24N2O3S/c1-15-10-11-18(16(2)12-15)14-27(25,26)23-21(24)9-5-6-17-13-22-20-8-4-3-7-19(17)20/h3-4,7-8,10-13,22H,5-6,9,14H2,1-2H3,(H,23,24)
InChIKeyLWRSWZYIJGGEOW-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.75
Rot. Bonds7

About N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide

N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 119048650) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide
PubChem CID119048650
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)CCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H24N2O3S/c1-15-10-11-18(16(2)12-15)14-27(25,26)23-21(24)9-5-6-17-13-22-20-8-4-3-7-19(17)20/h3-4,7-8,10-13,22H,5-6,9,14H2,1-2H3,(H,23,24)
InChIKeyLWRSWZYIJGGEOW-UHFFFAOYSA-N
XLogP3.75
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 33338058
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
CID 55363866
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
4-(1H-indol-3-yl)butanamide
CID 588715
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide (CID 119048650) is N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide is Cc1ccc(CS(=O)(=O)NC(=O)CCCc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is LWRSWZYIJGGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-10-11-18(16(2)12-15)14-27(25,26)23-21(24)9-5-6-17-13-22-20-8-4-3-7-19(17)20/h3-4,7-8,10-13,22H,5-6,9,14H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide?
N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 384.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 119048650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).