N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline

C15H19NO2S2 — CID 61335118

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
SMILESCCc1ccc(C(C)Nc2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H19NO2S2/c1-4-13-7-10-15(19-13)11(2)16-12-5-8-14(9-6-12)20(3,17)18/h5-11,16H,4H2,1-3H3
InChIKeyFZJJESZMQJEJHX-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.89
Rot. Bonds5

About N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline

N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline (PubChem CID 61335118) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
PubChem CID61335118
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
SMILESCCc1ccc(C(C)Nc2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H19NO2S2/c1-4-13-7-10-15(19-13)11(2)16-12-5-8-14(9-6-12)20(3,17)18/h5-11,16H,4H2,1-3H3
InChIKeyFZJJESZMQJEJHX-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(5-ethylthiophen-2-yl)ethylamino]benzoic acid
CID 61333563
2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
4-[1-(5-ethylthiophen-2-yl)ethylamino]-N,N-dimethylbenzamide
CID 61335120
5-[1-(5-ethylthiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 61334552
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-nitroaniline
CID 82864654
N-[1-(5-ethylthiophen-2-yl)ethyl]-3,4-dimethoxyaniline
CID 61334130
3-chloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylaniline
CID 55186067
3-bromo-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 104775686
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
3,5-dichloro-N-[1-(5-ethylthiophen-2-yl)ethyl]-4-fluoroaniline
CID 107572802
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
1-N-[1-(5-ethylthiophen-2-yl)ethyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376974

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline (CID 61335118) is N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline is CCc1ccc(C(C)Nc2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline?
The InChIKey is FZJJESZMQJEJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-4-13-7-10-15(19-13)11(2)16-12-5-8-14(9-6-12)20(3,17)18/h5-11,16H,4H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline?
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline has a molecular weight of 309.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline is sourced from PubChem (CID 61335118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).