2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide

C24H33N3O3S — CID 30253872

IUPAC2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
SMILESCC(C)(C)c1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C24H33N3O3S/c1-24(2,3)20-10-12-21(13-11-20)27(31(4,29)30)18-23(28)25-15-7-16-26-17-14-19-8-5-6-9-22(19)26/h5-6,8-13H,7,14-18H2,1-4H3,(H,25,28)
InChIKeyUTWMIGJTLZUQAI-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.32
Rot. Bonds8

About 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide

2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide (PubChem CID 30253872) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
PubChem CID30253872
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
SMILESCC(C)(C)c1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C24H33N3O3S/c1-24(2,3)20-10-12-21(13-11-20)27(31(4,29)30)18-23(28)25-15-7-16-26-17-14-19-8-5-6-9-22(19)26/h5-6,8-13H,7,14-18H2,1-4H3,(H,25,28)
InChIKeyUTWMIGJTLZUQAI-UHFFFAOYSA-N
XLogP3.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221065
N-(3-benzylsulfanylpropyl)-2-(4-tert-butyl-N-methylsulfonylanilino)acetamide
CID 30253995
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30253967
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43896749
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30212131
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215480
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 43895066
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30217141
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30206139

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide (CID 30253872) is 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide is CC(C)(C)c1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
The InChIKey is UTWMIGJTLZUQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-24(2,3)20-10-12-21(13-11-20)27(31(4,29)30)18-23(28)25-15-7-16-26-17-14-19-8-5-6-9-22(19)26/h5-6,8-13H,7,14-18H2,1-4H3,(H,25,28).
What are the key properties of 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide has a molecular weight of 443.61 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide is sourced from PubChem (CID 30253872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).