N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide

C20H23N3O3S — CID 55363866

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C20H23N3O3S/c1-13-10-16(27(21,25)26)11-19(14(13)2)23-20(24)9-5-6-15-12-22-18-8-4-3-7-17(15)18/h3-4,7-8,10-12,22H,5-6,9H2,1-2H3,(H,23,24)(H2,21,25,26)
InChIKeyXERBIDSUYLOBOO-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.39
Rot. Bonds6

About N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide (PubChem CID 55363866) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
PubChem CID55363866
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C20H23N3O3S/c1-13-10-16(27(21,25)26)11-19(14(13)2)23-20(24)9-5-6-15-12-22-18-8-4-3-7-17(15)18/h3-4,7-8,10-12,22H,5-6,9H2,1-2H3,(H,23,24)(H2,21,25,26)
InChIKeyXERBIDSUYLOBOO-UHFFFAOYSA-N
XLogP3.39
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
4-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]butanamide
CID 25325600
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407
N-[(2,4-dimethylphenyl)methylsulfonyl]-4-(1H-indol-3-yl)butanamide
CID 119048650
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
4-(1H-indol-3-yl)butanamide
CID 588715
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-(1H-indol-3-yl)butanamide
CID 162628292
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide (CID 55363866) is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCc2c[nH]c3ccccc23)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide?
The InChIKey is XERBIDSUYLOBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13-10-16(27(21,25)26)11-19(14(13)2)23-20(24)9-5-6-15-12-22-18-8-4-3-7-17(15)18/h3-4,7-8,10-12,22H,5-6,9H2,1-2H3,(H,23,24)(H2,21,25,26).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide has a molecular weight of 385.49 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 55363866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).