N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide

C20H21N3O3S — CID 58694320

IUPACN-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1
InChIInChI=1S/C20H21N3O3S/c1-5-27(24,25)23(3)15-8-6-14(7-9-15)20-18(13-21)17-11-10-16(26-4)12-19(17)22(20)2/h6-12H,5H2,1-4H3
InChIKeyAMVKWYTZCJODOB-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.51
Rot. Bonds5

About N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide

N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide (PubChem CID 58694320) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
PubChem CID58694320
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1
InChIInChI=1S/C20H21N3O3S/c1-5-27(24,25)23(3)15-8-6-14(7-9-15)20-18(13-21)17-11-10-16(26-4)12-19(17)22(20)2/h6-12H,5H2,1-4H3
InChIKeyAMVKWYTZCJODOB-UHFFFAOYSA-N
XLogP3.51
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-cyano-1-methyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-N-methylethanesulfonamide
CID 58724749
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 143184513
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159
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
6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 143184569
N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
CID 143184099
sodium;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]ethanesulfonamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-N-methylethanesulfonamide;hydride
CID 157230403
6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
CID 143509596
6-[amino(propylsulfanyl)amino]-2-(4-ethoxyphenyl)-1-methylindole-3-carbonitrile
CID 143184339
2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-6-methoxy-1-methylindole-3-carbonitrile
CID 143183947

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide?
The IUPAC name of N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide (CID 58694320) is N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1.
What is the InChIKey of N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide?
The InChIKey is AMVKWYTZCJODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-5-27(24,25)23(3)15-8-6-14(7-9-15)20-18(13-21)17-11-10-16(26-4)12-19(17)22(20)2/h6-12H,5H2,1-4H3.
What are the key properties of N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide?
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide is sourced from PubChem (CID 58694320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).