4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide

C15H20N2O2S2 — CID 43742464

IUPAC4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H20N2O2S2/c1-10-9-15(12(3)20-10)11(2)17-13-5-7-14(8-6-13)21(18,19)16-4/h5-9,11,16-17H,1-4H3
InChIKeyFGVVLKQTXGFQDS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.45
Rot. Bonds5

About 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide

4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 43742464) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID43742464
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2cc(C)sc2C)cc1
InChIInChI=1S/C15H20N2O2S2/c1-10-9-15(12(3)20-10)11(2)17-13-5-7-14(8-6-13)21(18,19)16-4/h5-9,11,16-17H,1-4H3
InChIKeyFGVVLKQTXGFQDS-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
CID 43790317
N-methyl-4-[1-(3-methylthiophen-2-yl)ethylamino]benzenesulfonamide
CID 63993060
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
2,5-dimethyl-3-[1-(sulfamoylamino)ethyl]thiophene
CID 112684505
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504
4-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-fluoroaniline
CID 43721303
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethyl-3-nitroaniline
CID 43733090
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158246
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 107281803
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methoxysulfamoyl)benzamide
CID 51947181
2-chloro-4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451348

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide (CID 43742464) is 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)c2cc(C)sc2C)cc1.
What is the InChIKey of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is FGVVLKQTXGFQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-10-9-15(12(3)20-10)11(2)17-13-5-7-14(8-6-13)21(18,19)16-4/h5-9,11,16-17H,1-4H3.
What are the key properties of 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide?
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43742464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).