N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide

C16H20N2O3S2 — CID 108573230

IUPACN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C16H20N2O3S2/c1-12-5-6-15(13(2)10-12)23(20,21)18-8-7-17-16(19)11-14-4-3-9-22-14/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,17,19)
InChIKeyNYZSAJXRFBWZRA-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.00
Rot. Bonds7

About N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 108573230) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID108573230
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)Cc2cccs2)c(C)c1
InChIInChI=1S/C16H20N2O3S2/c1-12-5-6-15(13(2)10-12)23(20,21)18-8-7-17-16(19)11-14-4-3-9-22-14/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,17,19)
InChIKeyNYZSAJXRFBWZRA-UHFFFAOYSA-N
XLogP2.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 7908243
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 71970651
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide (CID 108573230) is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide is Cc1ccc(S(=O)(=O)NCCNC(=O)Cc2cccs2)c(C)c1.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is NYZSAJXRFBWZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-12-5-6-15(13(2)10-12)23(20,21)18-8-7-17-16(19)11-14-4-3-9-22-14/h3-6,9-10,18H,7-8,11H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 352.48 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 108573230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).