N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide

C15H20N4O2S — CID 59468725

IUPACN-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide
SMILESCn1cnc(CCN2CCc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C15H20N4O2S/c1-18-10-14(16-11-18)6-8-19-7-5-12-3-4-13(9-15(12)19)17-22(2,20)21/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyJDDSKXBCLOJLPZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.40
Rot. Bonds5

About N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide

N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide (PubChem CID 59468725) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide
PubChem CID59468725
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide
SMILESCn1cnc(CCN2CCc3ccc(NS(C)(=O)=O)cc32)c1
InChIInChI=1S/C15H20N4O2S/c1-18-10-14(16-11-18)6-8-19-7-5-12-3-4-13(9-15(12)19)17-22(2,20)21/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyJDDSKXBCLOJLPZ-UHFFFAOYSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[6-(methanesulfonamido)-2,3-dihydroindol-1-yl]ethyl]imidazol-1-yl]thallium
CID 143417041
N-methyl-1-[(1-methylimidazol-4-yl)methyl]-2,3-dihydroindol-6-amine
CID 59468770
N-[1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
CID 59468746
N-[2-(6-bromo-2,3-dihydroindol-1-yl)ethyl]methanesulfonamide
CID 75534700
N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
CID 71918240
5-(methanesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766134
N,1-dipentyl-2,3-dihydroindol-6-amine
CID 70410805
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16820558
1-methyl-4-propylimidazole
CID 20703275
N-(1-butyl-2,3-dihydroindol-6-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71918236
N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide
CID 23353494
3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide
CID 166261429

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide (CID 59468725) is N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide is Cn1cnc(CCN2CCc3ccc(NS(C)(=O)=O)cc32)c1.
What is the InChIKey of N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide?
The InChIKey is JDDSKXBCLOJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-18-10-14(16-11-18)6-8-19-7-5-12-3-4-13(9-15(12)19)17-22(2,20)21/h3-4,9-11,17H,5-8H2,1-2H3.
What are the key properties of N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide?
N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-methylimidazol-4-yl)ethyl]-2,3-dihydroindol-6-yl]methanesulfonamide is sourced from PubChem (CID 59468725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).