N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide

C14H18N2O2S2 — CID 43715254

IUPACN-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCc1ccc(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-16-20(17,18)14-7-5-4-6-13(14)15-10-12-9-8-11(2)19-12/h4-9,15-16H,3,10H2,1-2H3
InChIKeyLSSLNNIUNIPJMM-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide

N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide (PubChem CID 43715254) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
PubChem CID43715254
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCc1ccc(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-3-16-20(17,18)14-7-5-4-6-13(14)15-10-12-9-8-11(2)19-12/h4-9,15-16H,3,10H2,1-2H3
InChIKeyLSSLNNIUNIPJMM-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 60780514
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide
CID 66410475
3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
CID 103304947
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853
2-(ethylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 62143225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide (CID 43715254) is N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCc1ccc(C)s1.
What is the InChIKey of N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The InChIKey is LSSLNNIUNIPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-16-20(17,18)14-7-5-4-6-13(14)15-10-12-9-8-11(2)19-12/h4-9,15-16H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 43715254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).