N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide

C23H30N2O4S — CID 60584916

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NCCS(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H30N2O4S/c1-18-10-11-19(2)22(17-18)29-15-6-5-9-23(26)24-13-16-30(27,28)25-14-12-20-7-3-4-8-21(20)25/h3-4,7-8,10-11,17H,5-6,9,12-16H2,1-2H3,(H,24,26)
InChIKeyVPGFUAJBMXVDCY-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.36
Rot. Bonds10

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide (PubChem CID 60584916) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide
PubChem CID60584916
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide
SMILESCc1ccc(C)c(OCCCCC(=O)NCCS(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C23H30N2O4S/c1-18-10-11-19(2)22(17-18)29-15-6-5-9-23(26)24-13-16-30(27,28)25-14-12-20-7-3-4-8-21(20)25/h3-4,7-8,10-11,17H,5-6,9,12-16H2,1-2H3,(H,24,26)
InChIKeyVPGFUAJBMXVDCY-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.36
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-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110343083
5-(2,5-dimethylphenoxy)-N-[2-(methylamino)ethyl]pentanamide
CID 119500786
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 47029289
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 110342862
N-[1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55685369
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 39300765
N-(cyclobutylmethyl)-5-(2,5-dimethylphenoxy)pentanamide
CID 47723201
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55662815

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide (CID 60584916) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide is Cc1ccc(C)c(OCCCCC(=O)NCCS(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide?
The InChIKey is VPGFUAJBMXVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18-10-11-19(2)22(17-18)29-15-6-5-9-23(26)24-13-16-30(27,28)25-14-12-20-7-3-4-8-21(20)25/h3-4,7-8,10-11,17H,5-6,9,12-16H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide has a molecular weight of 430.57 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide is sourced from PubChem (CID 60584916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).