N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide

C15H20N2O2S2 — CID 60932015

IUPACN-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2ccc(C)s2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-4-21(18,19)17-14-8-6-13(7-9-14)16-12(3)15-10-5-11(2)20-15/h5-10,12,16-17H,4H2,1-3H3
InChIKeyBTBNLWIPOGXKTB-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.99
Rot. Bonds6

About N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide

N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide (PubChem CID 60932015) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
PubChem CID60932015
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2ccc(C)s2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-4-21(18,19)17-14-8-6-13(7-9-14)16-12(3)15-10-5-11(2)20-15/h5-10,12,16-17H,4H2,1-3H3
InChIKeyBTBNLWIPOGXKTB-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]ethanesulfonamide
CID 60931642
4-(difluoromethylsulfonyl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43683889
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
N-[1-(5-methylthiophen-2-yl)ethyl]-4-phenylaniline
CID 43716871
1-methyl-3-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]urea
CID 43744393
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136
N-[4-(1-cyclopropylethylamino)phenyl]ethanesulfonamide
CID 54866252
5-[1-(5-methylthiophen-2-yl)ethylamino]benzene-1,3-dicarboxamide
CID 43106636
methyl 2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetate
CID 43676831
N-[4-[1-(5-chlorothiophen-3-yl)ethylamino]phenyl]ethanesulfonamide
CID 102976918
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732
4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide (CID 60932015) is N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC(C)c2ccc(C)s2)cc1.
What is the InChIKey of N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
The InChIKey is BTBNLWIPOGXKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-4-21(18,19)17-14-8-6-13(7-9-14)16-12(3)15-10-5-11(2)20-15/h5-10,12,16-17H,4H2,1-3H3.
What are the key properties of N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide?
N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]ethanesulfonamide is sourced from PubChem (CID 60932015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).