N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H18N2O2S2 — CID 61437377

IUPACN-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-16(11-13-5-4-10-19-13)20(17,18)14-8-6-12(15-2)7-9-14/h4-10,15H,3,11H2,1-2H3
InChIKeyMYRSPBGXFVZOKN-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.00
Rot. Bonds6

About N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide

N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 61437377) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID61437377
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C14H18N2O2S2/c1-3-16(11-13-5-4-10-19-13)20(17,18)14-8-6-12(15-2)7-9-14/h4-10,15H,3,11H2,1-2H3
InChIKeyMYRSPBGXFVZOKN-UHFFFAOYSA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
4-cyano-N-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 30171718
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 71624059
6-cyano-N-ethyl-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 115602484
N-ethyl-N-(2-hydroxyethyl)-4-(methylamino)benzenesulfonamide
CID 60979848
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 55568469

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 61437377) is N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MYRSPBGXFVZOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-3-16(11-13-5-4-10-19-13)20(17,18)14-8-6-12(15-2)7-9-14/h4-10,15H,3,11H2,1-2H3.
What are the key properties of N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61437377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).