N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide

C20H22N2O3S — CID 143185583

IUPACN-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide
SMILESCCN(c1ccc(-c2c(C=O)c3ccc(OC)cc3n2C)cc1)S(C)=O
InChIInChI=1S/C20H22N2O3S/c1-5-22(26(4)24)15-8-6-14(7-9-15)20-18(13-23)17-11-10-16(25-3)12-19(17)21(20)2/h6-13H,5H2,1-4H3
InChIKeyHXWMLFJBARWJIN-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.79
Rot. Bonds6

About N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide

N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide (PubChem CID 143185583) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide
PubChem CID143185583
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide
SMILESCCN(c1ccc(-c2c(C=O)c3ccc(OC)cc3n2C)cc1)S(C)=O
InChIInChI=1S/C20H22N2O3S/c1-5-22(26(4)24)15-8-6-14(7-9-15)20-18(13-23)17-11-10-16(25-3)12-19(17)21(20)2/h6-13H,5H2,1-4H3
InChIKeyHXWMLFJBARWJIN-UHFFFAOYSA-N
XLogP3.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
6-methoxy-1-methyl-2-(trifluoromethyl)indole-3-carbaldehyde
CID 84636449
methyl 3-formyl-6-methoxy-1-methylindole-2-carboxylate
CID 4777747
N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
CID 143184099
2,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline-12-carbaldehyde
CID 139932303
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide?
The IUPAC name of N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide (CID 143185583) is N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide.
What is the SMILES notation for N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide?
The canonical SMILES for N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide is CCN(c1ccc(-c2c(C=O)c3ccc(OC)cc3n2C)cc1)S(C)=O.
What is the InChIKey of N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide?
The InChIKey is HXWMLFJBARWJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-5-22(26(4)24)15-8-6-14(7-9-15)20-18(13-23)17-11-10-16(25-3)12-19(17)21(20)2/h6-13H,5H2,1-4H3.
What are the key properties of N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide?
N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide has a molecular weight of 370.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(3-formyl-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfinamide is sourced from PubChem (CID 143185583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).