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

C20H21N3O3S — CID 24739834

IUPACN-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCOc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N
InChIInChI=1S/C20H21N3O3S/c1-13(2)23-12-18(14-5-6-15(11-21)20(9-14)26-3)17-8-7-16(10-19(17)23)22-27(4,24)25/h5-10,12-13,22H,1-4H3
InChIKeyCUIMAZBZRVOSOP-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.14
Rot. Bonds5

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

N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (PubChem CID 24739834) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
PubChem CID24739834
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide
SMILESCOc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N
InChIInChI=1S/C20H21N3O3S/c1-13(2)23-12-18(14-5-6-15(11-21)20(9-14)26-3)17-8-7-16(10-19(17)23)22-27(4,24)25/h5-10,12-13,22H,1-4H3
InChIKeyCUIMAZBZRVOSOP-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-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide (CID 24739834) is N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is COc1cc(-c2cn(C(C)C)c3cc(NS(C)(=O)=O)ccc23)ccc1C#N.
What is the InChIKey of N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
The InChIKey is CUIMAZBZRVOSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(2)23-12-18(14-5-6-15(11-21)20(9-14)26-3)17-8-7-16(10-19(17)23)22-27(4,24)25/h5-10,12-13,22H,1-4H3.
What are the key properties of N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide?
N-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]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-[3-(4-cyano-3-methoxyphenyl)-1-propan-2-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 24739834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).