N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide

C14H16N2O3S2 — CID 715043

IUPACN-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C14H16N2O3S2/c1-9-8-14(10(2)20-9)21(18,19)16-13-6-4-12(5-7-13)15-11(3)17/h4-8,16H,1-3H3,(H,15,17)
InChIKeyLALKMXVPRUYGLL-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.12
Rot. Bonds4

About N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide

N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide (PubChem CID 715043) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide
PubChem CID715043
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C14H16N2O3S2/c1-9-8-14(10(2)20-9)21(18,19)16-13-6-4-12(5-7-13)15-11(3)17/h4-8,16H,1-3H3,(H,15,17)
InChIKeyLALKMXVPRUYGLL-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-{4-[(phenylsulfonyl)amino]phenyl}acetamide
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N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
CID 670788
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
N-[4-(butylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 2188561
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-(4-(((5-methylthiophen-2-yl)methyl)amino)phenyl)acetamide
CID 6492101

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide (CID 715043) is N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is LALKMXVPRUYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-8-14(10(2)20-9)21(18,19)16-13-6-4-12(5-7-13)15-11(3)17/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide?
N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 715043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).