N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

C27H37N5O2S — CID 66852256

IUPACN-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(Cc3[nH]c4ccc(N(C)S(C)(=O)=O)cc4c3CCN(C)C)cc12
InChIInChI=1S/C27H37N5O2S/c1-30(2)13-11-20-18-28-25-9-7-19(15-23(20)25)16-27-22(12-14-31(3)4)24-17-21(8-10-26(24)29-27)32(5)35(6,33)34/h7-10,15,17-18,28-29H,11-14,16H2,1-6H3
InChIKeyFJOPWVJUMWRXDW-UHFFFAOYSA-N
MW495.69 g/mol
LogP3.84
Rot. Bonds10

About N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide (PubChem CID 66852256) has the molecular formula C27H37N5O2S and a molecular weight of 495.69 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
PubChem CID66852256
Molecular FormulaC27H37N5O2S
Molecular Weight495.69 g/mol
Exact Mass495.27
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(Cc3[nH]c4ccc(N(C)S(C)(=O)=O)cc4c3CCN(C)C)cc12
InChIInChI=1S/C27H37N5O2S/c1-30(2)13-11-20-18-28-25-9-7-19(15-23(20)25)16-27-22(12-14-31(3)4)24-17-21(8-10-26(24)29-27)32(5)35(6,33)34/h7-10,15,17-18,28-29H,11-14,16H2,1-6H3
InChIKeyFJOPWVJUMWRXDW-UHFFFAOYSA-N
XLogP3.84
TPSA75.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[3-[2-(dimethylamino)ethyl]-5-(methylsulfamoylmethyl)-1H-indol-2-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 169438957
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 19023013
[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]methanesulfonamide
CID 69456536
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 19023004
2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 160688645
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67085783
decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 21188875
1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-1,1-dideuterio-N-(trideuteriomethyl)methanesulfonamide
CID 59719669
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide (CID 66852256) is N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide is CN(C)CCc1c[nH]c2ccc(Cc3[nH]c4ccc(N(C)S(C)(=O)=O)cc4c3CCN(C)C)cc12.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
The InChIKey is FJOPWVJUMWRXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2S/c1-30(2)13-11-20-18-28-25-9-7-19(15-23(20)25)16-27-22(12-14-31(3)4)24-17-21(8-10-26(24)29-27)32(5)35(6,33)34/h7-10,15,17-18,28-29H,11-14,16H2,1-6H3.
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide?
N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide has a molecular weight of 495.69 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1H-indol-5-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 66852256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).