N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide

C17H22N2O3S2 — CID 4805360

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccsc2)ccc1C
InChIInChI=1S/C17H22N2O3S2/c1-4-19(5-2)24(21,22)16-11-15(7-6-13(16)3)18-17(20)10-14-8-9-23-12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyBKVPQWBYYQDURE-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.27
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide (PubChem CID 4805360) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide
PubChem CID4805360
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccsc2)ccc1C
InChIInChI=1S/C17H22N2O3S2/c1-4-19(5-2)24(21,22)16-11-15(7-6-13(16)3)18-17(20)10-14-8-9-23-12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,20)
InChIKeyBKVPQWBYYQDURE-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide (CID 4805360) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccsc2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide?
The InChIKey is BKVPQWBYYQDURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-4-19(5-2)24(21,22)16-11-15(7-6-13(16)3)18-17(20)10-14-8-9-23-12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide has a molecular weight of 366.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4805360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).