2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C20H31N3O3S — CID 51221584

IUPAC2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C20H31N3O3S/c1-15-7-4-5-11-22(15)12-6-10-21-20(24)17-8-9-19-18(14-17)13-16(2)23(19)27(3,25)26/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,21,24)
InChIKeyVUBFRZRFBTVVIH-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.39
Rot. Bonds6

About 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 51221584) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID51221584
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C20H31N3O3S/c1-15-7-4-5-11-22(15)12-6-10-21-20(24)17-8-9-19-18(14-17)13-16(2)23(19)27(3,25)26/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,21,24)
InChIKeyVUBFRZRFBTVVIH-UHFFFAOYSA-N
XLogP2.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.39
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-hexyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46515794
(2S)-N-(3-methoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452577
N-(3-butoxypropyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51219164
(2R)-N-(2-methoxyethyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 41452572
(2S)-N'-(cyclohexanecarbonyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9327258
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-methylsulfonylbenzamide
CID 9473048
2-methyl-1-methylsulfonyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-5-carboxamide
CID 86929033
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
2-methyl-1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 46565283
(2R)-N-cyclopropyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210140
4-hydroxy-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 103956294

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 51221584) is 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC1CCCCN1CCCNC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is VUBFRZRFBTVVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-15-7-4-5-11-22(15)12-6-10-21-20(24)17-8-9-19-18(14-17)13-16(2)23(19)27(3,25)26/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51221584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).