N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide

C20H21N3O3S — CID 58694205

IUPACN-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
SMILESCCCn1c(-c2cccc(NS(C)(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H21N3O3S/c1-4-10-23-19-12-16(26-2)8-9-17(19)18(13-21)20(23)14-6-5-7-15(11-14)22-27(3,24)25/h5-9,11-12,22H,4,10H2,1-3H3
InChIKeyMXRVGWFHMYUJHO-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.97
Rot. Bonds6

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

N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide (PubChem CID 58694205) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
PubChem CID58694205
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
SMILESCCCn1c(-c2cccc(NS(C)(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C20H21N3O3S/c1-4-10-23-19-12-16(26-2)8-9-17(19)18(13-21)20(23)14-6-5-7-15(11-14)22-27(3,24)25/h5-9,11-12,22H,4,10H2,1-3H3
InChIKeyMXRVGWFHMYUJHO-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide (CID 58694205) is N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide is CCCn1c(-c2cccc(NS(C)(=O)=O)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?
The InChIKey is MXRVGWFHMYUJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-10-23-19-12-16(26-2)8-9-17(19)18(13-21)20(23)14-6-5-7-15(11-14)22-27(3,24)25/h5-9,11-12,22H,4,10H2,1-3H3.
What are the key properties of N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide?
N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 58694205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).