N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide

C25H34N4O3S — CID 14181006

IUPACN-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
SMILESCN(C)CCc1c[nH]c2ccc(CCNC(=O)CCCc3ccc(NS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C25H34N4O3S/c1-29(2)16-14-21-18-27-24-12-9-20(17-23(21)24)13-15-26-25(30)6-4-5-19-7-10-22(11-8-19)28-33(3,31)32/h7-12,17-18,27-28H,4-6,13-16H2,1-3H3,(H,26,30)
InChIKeyYEMGNWNZRRAUIG-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.33
Rot. Bonds12

About N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide

N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide (PubChem CID 14181006) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
PubChem CID14181006
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC NameN-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
SMILESCN(C)CCc1c[nH]c2ccc(CCNC(=O)CCCc3ccc(NS(C)(=O)=O)cc3)cc12
InChIInChI=1S/C25H34N4O3S/c1-29(2)16-14-21-18-27-24-12-9-20(17-23(21)24)13-15-26-25(30)6-4-5-19-7-10-22(11-8-19)28-33(3,31)32/h7-12,17-18,27-28H,4-6,13-16H2,1-3H3,(H,26,30)
InChIKeyYEMGNWNZRRAUIG-UHFFFAOYSA-N
XLogP3.33
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide with MolForge

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Related Compounds

2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 21188875
N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
CID 143892707
2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
CID 71186806
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
bis(1-[3-[2-[bis(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide);butanedioic acid
CID 131873425
4-[4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylsulfonyl-methylamino]oxy-4-oxobutanoyl]oxy-4-oxobutanoic acid
CID 87259431
N-[2-[3-[2-(methanesulfonamido)ethyl]-1H-indol-5-yl]ethyl]formamide
CID 14209532
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
The IUPAC name of N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide (CID 14181006) is N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide.
What is the SMILES notation for N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
The canonical SMILES for N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide is CN(C)CCc1c[nH]c2ccc(CCNC(=O)CCCc3ccc(NS(C)(=O)=O)cc3)cc12.
What is the InChIKey of N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
The InChIKey is YEMGNWNZRRAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-29(2)16-14-21-18-27-24-12-9-20(17-23(21)24)13-15-26-25(30)6-4-5-19-7-10-22(11-8-19)28-33(3,31)32/h7-12,17-18,27-28H,4-6,13-16H2,1-3H3,(H,26,30).
What are the key properties of N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide?
N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide has a molecular weight of 470.64 g/mol, XLogP of 3.33, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide is sourced from PubChem (CID 14181006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).