1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide

C14H18N2O2S2 — CID 61114484

IUPAC1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O2S2/c1-2-16(10-14-4-3-9-19-14)20(17,18)11-12-5-7-13(15)8-6-12/h3-9H,2,10-11,15H2,1H3
InChIKeyWQYUDJRIDBDBCM-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.68
Rot. Bonds6

About 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide

1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 61114484) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
PubChem CID61114484
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H18N2O2S2/c1-2-16(10-14-4-3-9-19-14)20(17,18)11-12-5-7-13(15)8-6-12/h3-9H,2,10-11,15H2,1H3
InChIKeyWQYUDJRIDBDBCM-UHFFFAOYSA-N
XLogP2.68
TPSA63.40 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
CID 54972047
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
1-(3-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43527299
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
N-[(4-aminophenyl)methyl]-N-ethyl-2-methylsulfonylethanesulfonamide
CID 63245077
N-ethyl-1-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 54971999
4-(aminomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 79179449
N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
5-amino-N-ethyl-2,4-difluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61113928

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide (CID 61114484) is 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide is CCN(Cc1cccs1)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is WQYUDJRIDBDBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-2-16(10-14-4-3-9-19-14)20(17,18)11-12-5-7-13(15)8-6-12/h3-9H,2,10-11,15H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide?
1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 61114484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).