N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide

C24H32N4O2S — CID 43062038

IUPACN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H32N4O2S/c1-18-7-6-14-28(17-18)31(29,30)26-16-22(19-10-12-20(13-11-19)27(2)3)23-15-25-24-9-5-4-8-21(23)24/h4-5,8-13,15,18,22,25-26H,6-7,14,16-17H2,1-3H3
InChIKeyKASMUMDNKJRUBK-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.93
Rot. Bonds7

About N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 43062038) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID43062038
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H32N4O2S/c1-18-7-6-14-28(17-18)31(29,30)26-16-22(19-10-12-20(13-11-19)27(2)3)23-15-25-24-9-5-4-8-21(23)24/h4-5,8-13,15,18,22,25-26H,6-7,14,16-17H2,1-3H3
InChIKeyKASMUMDNKJRUBK-UHFFFAOYSA-N
XLogP3.93
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43053644
N-[4-[[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 42994767
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]pyrrolidine-1-sulfonamide
CID 42942257
(2S)-2-cyclopropyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 95781093
(3S)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]oxolane-3-carboxamide
CID 52511357
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4831761
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 3461746
(1S)-2,2-dichloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 31854198
2,2-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 43005305
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 25354544

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide (CID 43062038) is N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is KASMUMDNKJRUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-18-7-6-14-28(17-18)31(29,30)26-16-22(19-10-12-20(13-11-19)27(2)3)23-15-25-24-9-5-4-8-21(23)24/h4-5,8-13,15,18,22,25-26H,6-7,14,16-17H2,1-3H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 440.61 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43062038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).