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

C20H21N3O2S — CID 143184867

IUPACN-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
SMILESCCN(c1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1)S(C)=O
InChIInChI=1S/C20H21N3O2S/c1-5-23(26(4)24)15-8-6-14(7-9-15)20-18(13-21)17-11-10-16(25-3)12-19(17)22(20)2/h6-12H,5H2,1-4H3
InChIKeyMJZIFPXQTFHLSX-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.85
Rot. Bonds5

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

N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide (PubChem CID 143184867) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide.

Molecular Properties

Compound NameN-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
PubChem CID143184867
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
SMILESCCN(c1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1)S(C)=O
InChIInChI=1S/C20H21N3O2S/c1-5-23(26(4)24)15-8-6-14(7-9-15)20-18(13-21)17-11-10-16(25-3)12-19(17)22(20)2/h6-12H,5H2,1-4H3
InChIKeyMJZIFPXQTFHLSX-UHFFFAOYSA-N
XLogP3.85
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide
CID 143185583
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
CID 143184099
6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 143184569
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159
N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide
CID 143185330
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
N-[4-[3-cyano-1-methyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-N-methylethanesulfonamide
CID 58724749
2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-6-methoxy-1-methylindole-3-carbonitrile
CID 143183947
N-[4-(3-cyano-1-hexyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 143184513
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
CID 143509596

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide?
The IUPAC name of N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide (CID 143184867) is N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide.
What is the SMILES notation for N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide?
The canonical SMILES for N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide is CCN(c1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1)S(C)=O.
What is the InChIKey of N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide?
The InChIKey is MJZIFPXQTFHLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-5-23(26(4)24)15-8-6-14(7-9-15)20-18(13-21)17-11-10-16(25-3)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-ethylmethanesulfinamide?
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide has a molecular weight of 367.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide is sourced from PubChem (CID 143184867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).