N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

C17H22N2O3S2 — CID 113058664

IUPACN-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)c1ccccc1C(C)C
InChIInChI=1S/C17H22N2O3S2/c1-13(2)15-7-4-5-8-16(15)19(14(3)20)11-10-18-24(21,22)17-9-6-12-23-17/h4-9,12-13,18H,10-11H2,1-3H3
InChIKeyYQBVIARUWCAKTM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.20
Rot. Bonds7

About N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (PubChem CID 113058664) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
PubChem CID113058664
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)c1ccccc1C(C)C
InChIInChI=1S/C17H22N2O3S2/c1-13(2)15-7-4-5-8-16(15)19(14(3)20)11-10-18-24(21,22)17-9-6-12-23-17/h4-9,12-13,18H,10-11H2,1-3H3
InChIKeyYQBVIARUWCAKTM-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058673
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058668
N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113061619
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
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-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 113057370
2-[methyl-[3-(thiophen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 62626367
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 113069717

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (CID 113058664) is N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cccs1)c1ccccc1C(C)C.
What is the InChIKey of N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The InChIKey is YQBVIARUWCAKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-13(2)15-7-4-5-8-16(15)19(14(3)20)11-10-18-24(21,22)17-9-6-12-23-17/h4-9,12-13,18H,10-11H2,1-3H3.
What are the key properties of N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113058664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).