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

C20H21N3O3S — CID 143185159

IUPACN-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(CCNS(C)(=O)=O)cc3)n(C)c2c1
InChIInChI=1S/C20H21N3O3S/c1-23-19-12-16(26-2)8-9-17(19)18(13-21)20(23)15-6-4-14(5-7-15)10-11-22-27(3,24)25/h4-9,12,22H,10-11H2,1-3H3
InChIKeyACFNQRIBYVVMCV-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.82
Rot. Bonds6

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

N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide (PubChem CID 143185159) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
PubChem CID143185159
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(CCNS(C)(=O)=O)cc3)n(C)c2c1
InChIInChI=1S/C20H21N3O3S/c1-23-19-12-16(26-2)8-9-17(19)18(13-21)20(23)15-6-4-14(5-7-15)10-11-22-27(3,24)25/h4-9,12,22H,10-11H2,1-3H3
InChIKeyACFNQRIBYVVMCV-UHFFFAOYSA-N
XLogP2.82
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide (CID 143185159) is N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide is COc1ccc2c(C#N)c(-c3ccc(CCNS(C)(=O)=O)cc3)n(C)c2c1.
What is the InChIKey of N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide?
The InChIKey is ACFNQRIBYVVMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23-19-12-16(26-2)8-9-17(19)18(13-21)20(23)15-6-4-14(5-7-15)10-11-22-27(3,24)25/h4-9,12,22H,10-11H2,1-3H3.
What are the key properties of N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide?
N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 143185159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).