N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C21H28N2O3S — CID 8819245

IUPACN-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C21H28N2O3S/c1-27(25,26)23-5-4-17-9-18(2-3-19(17)23)20(24)22-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,22,24)
InChIKeyVGRGUAWWUCJTTF-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.95
Rot. Bonds4

About N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 8819245) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID8819245
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C21H28N2O3S/c1-27(25,26)23-5-4-17-9-18(2-3-19(17)23)20(24)22-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,22,24)
InChIKeyVGRGUAWWUCJTTF-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
2,2-dimethyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119249841
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138
N-(2-cyclohexylethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46481193
N-[2-(cycloheptylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119619904
N-(3-cyclopentylpropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38857095
N-[(2R)-2-(ethylamino)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 120652193
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
2-[2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242130
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 8819245) is N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is VGRGUAWWUCJTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-27(25,26)23-5-4-17-9-18(2-3-19(17)23)20(24)22-13-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,22,24).
What are the key properties of N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 8819245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).