N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H26N2O3S — CID 46515794

IUPACN-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCCCNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-4-5-6-7-10-18-17(20)14-8-9-16-15(12-14)11-13(2)19(16)23(3,21)22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyQAKAJEVJYDMTBU-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.71
Rot. Bonds7

About N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46515794) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID46515794
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCCCNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-4-5-6-7-10-18-17(20)14-8-9-16-15(12-14)11-13(2)19(16)23(3,21)22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyQAKAJEVJYDMTBU-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51219164
(2S)-N-(3-methoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452577
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51221584
2-methyl-1-methylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-5-carboxamide
CID 86929033
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 94565333
2-methyl-1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 46565283
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9211019
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497
(2S)-2-methyl-1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 9483091
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 46515794) is N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCCCCCNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O.
What is the InChIKey of N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is QAKAJEVJYDMTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-5-6-7-10-18-17(20)14-8-9-16-15(12-14)11-13(2)19(16)23(3,21)22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46515794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).