N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C28H33N3O5S — CID 30215480

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C28H33N3O5S/c1-21-9-12-24(13-10-21)37(33,34)31(23-11-14-26(35-2)27(19-23)36-3)20-28(32)29-16-6-17-30-18-15-22-7-4-5-8-25(22)30/h4-5,7-14,19H,6,15-18,20H2,1-3H3,(H,29,32)
InChIKeyIMDGRLFVPGUEIM-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.78
Rot. Bonds11

About N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30215480) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30215480
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C28H33N3O5S/c1-21-9-12-24(13-10-21)37(33,34)31(23-11-14-26(35-2)27(19-23)36-3)20-28(32)29-16-6-17-30-18-15-22-7-4-5-8-25(22)30/h4-5,7-14,19H,6,15-18,20H2,1-3H3,(H,29,32)
InChIKeyIMDGRLFVPGUEIM-UHFFFAOYSA-N
XLogP3.78
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30217141
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221065
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30206139
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30212131
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 43895066
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30215519
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methylphenyl)sulfanylpropyl]acetamide
CID 30215524
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43896749
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 28635305
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30306922
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30253872
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133250337

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30215480) is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)NCCCN2CCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is IMDGRLFVPGUEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-21-9-12-24(13-10-21)37(33,34)31(23-11-14-26(35-2)27(19-23)36-3)20-28(32)29-16-6-17-30-18-15-22-7-4-5-8-25(22)30/h4-5,7-14,19H,6,15-18,20H2,1-3H3,(H,29,32).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 523.66 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30215480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).