N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide

C24H29N3O3S — CID 143184513

IUPACN-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
SMILESCCCCCCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H29N3O3S/c1-5-6-7-8-15-27-23-16-20(30-3)13-14-21(23)22(17-25)24(27)18-9-11-19(12-10-18)26(2)31(4,28)29/h9-14,16H,5-8,15H2,1-4H3
InChIKeyHEKWFIAZGIGOEG-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.16
Rot. Bonds9

About N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide

N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 143184513) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
PubChem CID143184513
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
SMILESCCCCCCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H29N3O3S/c1-5-6-7-8-15-27-23-16-20(30-3)13-14-21(23)22(17-25)24(27)18-9-11-19(12-10-18)26(2)31(4,28)29/h9-14,16H,5-8,15H2,1-4H3
InChIKeyHEKWFIAZGIGOEG-UHFFFAOYSA-N
XLogP5.16
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide 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-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide
CID 58694504
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylsulfonylanilino]ethyl acetate
CID 59426351
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 162132608
N-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide
CID 58693961
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
CID 58694205
N-[4-[3-cyano-1-methyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-N-methylethanesulfonamide
CID 58724749
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide (CID 143184513) is N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide is CCCCCCn1c(-c2ccc(N(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is HEKWFIAZGIGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-5-6-7-8-15-27-23-16-20(30-3)13-14-21(23)22(17-25)24(27)18-9-11-19(12-10-18)26(2)31(4,28)29/h9-14,16H,5-8,15H2,1-4H3.
What are the key properties of N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide?
N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 439.58 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 143184513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).