N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

C16H19ClN2O3S2 — CID 113060196

IUPACN-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H19ClN2O3S2/c1-11-9-12(2)16(14(17)10-11)19(13(3)20)7-6-18-24(21,22)15-5-4-8-23-15/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyCFXQIQRUJMBXEX-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.35
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (PubChem CID 113060196) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
PubChem CID113060196
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H19ClN2O3S2/c1-11-9-12(2)16(14(17)10-11)19(13(3)20)7-6-18-24(21,22)15-5-4-8-23-15/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyCFXQIQRUJMBXEX-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 113058855
N-(3-acetylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113061619
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-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058664
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
N-[2-(dimethylamino)ethyl]-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113053614
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
CID 113060167
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2,6-dimethylphenyl)acetamide
CID 113058176
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]thiophene-2-sulfonamide
CID 113068957
N-(2,4-dimethylphenyl)-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113057732

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide (CID 113060196) is N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cccs1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
The InChIKey is CFXQIQRUJMBXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-11-9-12(2)16(14(17)10-11)19(13(3)20)7-6-18-24(21,22)15-5-4-8-23-15/h4-5,8-10,18H,6-7H2,1-3H3.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide has a molecular weight of 386.93 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113060196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).