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

C19H19N3O2S — CID 143184099

IUPACN-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(CNS(C)=O)cc3)n(C)c2c1
InChIInChI=1S/C19H19N3O2S/c1-22-18-10-15(24-2)8-9-16(18)17(11-20)19(22)14-6-4-13(5-7-14)12-21-25(3)23/h4-10,21H,12H2,1-3H3
InChIKeyHPBSGUARLWQFDG-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.11
Rot. Bonds5

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

N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide (PubChem CID 143184099) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide.

Molecular Properties

Compound NameN-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
PubChem CID143184099
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(CNS(C)=O)cc3)n(C)c2c1
InChIInChI=1S/C19H19N3O2S/c1-22-18-10-15(24-2)8-9-16(18)17(11-20)19(22)14-6-4-13(5-7-14)12-21-25(3)23/h4-10,21H,12H2,1-3H3
InChIKeyHPBSGUARLWQFDG-UHFFFAOYSA-N
XLogP3.11
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-ethylmethanesulfinamide
CID 143184867
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
CID 143185159
6-methoxy-1-methyl-2-[4-(trifluoromethoxy)phenyl]indole-3-carbonitrile
CID 143184569
N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide
CID 58694320
2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-6-methoxy-1-methylindole-3-carbonitrile
CID 143183947
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-2-morpholin-4-ylethanesulfonamide
CID 66866350
N-[4-(3-cyano-6-hydroxy-1-methylindol-2-yl)phenyl]-N-methylmethanesulfinamide
CID 143185330
6-methoxy-2-(4-methylphenyl)-1-pentan-3-ylindole-3-carbonitrile
CID 143509596
N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide
CID 58694164
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide?
The IUPAC name of N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide (CID 143184099) is N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide.
What is the SMILES notation for N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide?
The canonical SMILES for N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide is COc1ccc2c(C#N)c(-c3ccc(CNS(C)=O)cc3)n(C)c2c1.
What is the InChIKey of N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide?
The InChIKey is HPBSGUARLWQFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22-18-10-15(24-2)8-9-16(18)17(11-20)19(22)14-6-4-13(5-7-14)12-21-25(3)23/h4-10,21H,12H2,1-3H3.
What are the key properties of N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide?
N-[[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methyl]methanesulfinamide has a molecular weight of 353.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 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]methyl]methanesulfinamide is sourced from PubChem (CID 143184099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).