N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

C16H18N2O4S2 — CID 113061619

IUPACN-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)c1cccc(N(CCNS(=O)(=O)c2cccs2)C(C)=O)c1
InChIInChI=1S/C16H18N2O4S2/c1-12(19)14-5-3-6-15(11-14)18(13(2)20)9-8-17-24(21,22)16-7-4-10-23-16/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyHMSJYMXVNXUOME-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.28
Rot. Bonds7

About N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (PubChem CID 113061619) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
PubChem CID113061619
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)c1cccc(N(CCNS(=O)(=O)c2cccs2)C(C)=O)c1
InChIInChI=1S/C16H18N2O4S2/c1-12(19)14-5-3-6-15(11-14)18(13(2)20)9-8-17-24(21,22)16-7-4-10-23-16/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyHMSJYMXVNXUOME-UHFFFAOYSA-N
XLogP2.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
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,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
CID 113061547
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-fluorophenyl)acetamide
CID 113062699
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (CID 113061619) is N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is CC(=O)c1cccc(N(CCNS(=O)(=O)c2cccs2)C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The InChIKey is HMSJYMXVNXUOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12(19)14-5-3-6-15(11-14)18(13(2)20)9-8-17-24(21,22)16-7-4-10-23-16/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113061619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).