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

C20H21N3O3S — CID 58694414

IUPACN-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C(C)C)c2c1
InChIInChI=1S/C20H21N3O3S/c1-13(2)23-19-11-16(26-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-27(4,24)25/h5-11,13,22H,1-4H3
InChIKeyRMYCFAXLRITAHZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.14
Rot. Bonds5

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

N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide (PubChem CID 58694414) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
PubChem CID58694414
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide
SMILESCOc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C(C)C)c2c1
InChIInChI=1S/C20H21N3O3S/c1-13(2)23-19-11-16(26-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-27(4,24)25/h5-11,13,22H,1-4H3
InChIKeyRMYCFAXLRITAHZ-UHFFFAOYSA-N
XLogP4.14
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide (CID 58694414) is N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide is COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C(C)C)c2c1.
What is the InChIKey of N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide?
The InChIKey is RMYCFAXLRITAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(2)23-19-11-16(26-3)9-10-17(19)18(12-21)20(23)14-5-7-15(8-6-14)22-27(4,24)25/h5-11,13,22H,1-4H3.
What are the key properties of N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide?
N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 58694414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).