N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine

C14H18N2O4S3 — CID 110605719

IUPACN-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
SMILESCCNS(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S3/c1-2-15-23(19,20)16-11-13(12-7-4-3-5-8-12)22(17,18)14-9-6-10-21-14/h3-10,13,15-16H,2,11H2,1H3
InChIKeyDKCYTAQJWSTOHY-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.71
Rot. Bonds8

About N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine

N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine (PubChem CID 110605719) has the molecular formula C14H18N2O4S3 and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
PubChem CID110605719
Molecular FormulaC14H18N2O4S3
Molecular Weight374.51 g/mol
Exact Mass374.04
IUPAC NameN-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine
SMILESCCNS(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H18N2O4S3/c1-2-15-23(19,20)16-11-13(12-7-4-3-5-8-12)22(17,18)14-9-6-10-21-14/h3-10,13,15-16H,2,11H2,1H3
InChIKeyDKCYTAQJWSTOHY-UHFFFAOYSA-N
XLogP1.71
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662803
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662811
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
3,4-dimethoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51453352
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
4-fluoro-2-methyl-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 44648994
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]butane-1-sulfonamide
CID 9181104
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine (CID 110605719) is N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine is CCNS(=O)(=O)NCC(c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is DKCYTAQJWSTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S3/c1-2-15-23(19,20)16-11-13(12-7-4-3-5-8-12)22(17,18)14-9-6-10-21-14/h3-10,13,15-16H,2,11H2,1H3.
What are the key properties of N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine?
N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 374.51 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfamoyl)-2-phenyl-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 110605719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).