N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline

C18H20N2O3S — CID 133452791

IUPACN-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
SMILESCOc1cccc2[nH]cc(CCNc3ccc(S(C)(=O)=O)cc3)c12
InChIInChI=1S/C18H20N2O3S/c1-23-17-5-3-4-16-18(17)13(12-20-16)10-11-19-14-6-8-15(9-7-14)24(2,21)22/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyUYWXYTTWRADRJE-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline

N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline (PubChem CID 133452791) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
PubChem CID133452791
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
SMILESCOc1cccc2[nH]cc(CCNc3ccc(S(C)(=O)=O)cc3)c12
InChIInChI=1S/C18H20N2O3S/c1-23-17-5-3-4-16-18(17)13(12-20-16)10-11-19-14-6-8-15(9-7-14)24(2,21)22/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyUYWXYTTWRADRJE-UHFFFAOYSA-N
XLogP3.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline
CID 126803059
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
N-[2-(4-iodo-1H-indol-3-yl)ethyl]-4-methylaniline
CID 70325355
3-(2-ethylselanylethyl)-4-methoxy-1H-indole
CID 167475252
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 132988764
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
[3-[2-(methylamino)ethyl]-1H-indol-4-yl] 4-methoxybenzoate
CID 170218830
3-fluoro-4-methoxy-1H-indole
CID 162696038
4-methoxy-1H-indole-3-sulfonyl chloride
CID 24749816
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
[3-[2-(ethylamino)ethyl]-1H-indol-4-yl] 3,3-dimethylbutanoate
CID 177196034

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
The IUPAC name of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline (CID 133452791) is N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline is COc1cccc2[nH]cc(CCNc3ccc(S(C)(=O)=O)cc3)c12.
What is the InChIKey of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
The InChIKey is UYWXYTTWRADRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-17-5-3-4-16-18(17)13(12-20-16)10-11-19-14-6-8-15(9-7-14)24(2,21)22/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline?
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline has a molecular weight of 344.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-4-methylsulfonylaniline is sourced from PubChem (CID 133452791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).