N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

C15H15N3O3S2 — CID 113064398

IUPACN-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)c1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O3S2/c1-12(19)18(14-6-4-13(11-16)5-7-14)9-8-17-23(20,21)15-3-2-10-22-15/h2-7,10,17H,8-9H2,1H3
InChIKeyIJJPIDDYXBXOGN-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.95
Rot. Bonds6

About N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (PubChem CID 113064398) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
PubChem CID113064398
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)c1ccc(C#N)cc1
InChIInChI=1S/C15H15N3O3S2/c1-12(19)18(14-6-4-13(11-16)5-7-14)9-8-17-23(20,21)15-3-2-10-22-15/h2-7,10,17H,8-9H2,1H3
InChIKeyIJJPIDDYXBXOGN-UHFFFAOYSA-N
XLogP1.95
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113061619
N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058664
N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113060196
N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113053614
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-bromobenzamide
CID 113064324
N-(4-cyanophenyl)-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113064406
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113062233
tert-butyl N-[2-(N-acetyl-4-cyanoanilino)ethyl]carbamate
CID 113064370

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (CID 113064398) is N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cccs1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The InChIKey is IJJPIDDYXBXOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-12(19)18(14-6-4-13(11-16)5-7-14)9-8-17-23(20,21)15-3-2-10-22-15/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113064398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).