2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

C10H15ClN2O4S2 — CID 38253630

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2O4S2/c1-13(7-9(14)12-5-6-17-2)19(15,16)10-4-3-8(11)18-10/h3-4H,5-7H2,1-2H3,(H,12,14)
InChIKeyFVAJAOCVYSTJBO-UHFFFAOYSA-N
MW326.83 g/mol
LogP0.78
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 38253630) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID38253630
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2O4S2/c1-13(7-9(14)12-5-6-17-2)19(15,16)10-4-3-8(11)18-10/h3-4H,5-7H2,1-2H3,(H,12,14)
InChIKeyFVAJAOCVYSTJBO-UHFFFAOYSA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
CID 55656231
N-[2-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]ethyl]benzamide
CID 38204108
2-[(5-carbamothioylthiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 106270760
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 31852144
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 38503362
N-[3-[benzyl(methyl)amino]propyl]-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 46532542
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 134059052
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
methyl 4-chloro-3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 30872480

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 38253630) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is FVAJAOCVYSTJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-13(7-9(14)12-5-6-17-2)19(15,16)10-4-3-8(11)18-10/h3-4H,5-7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 326.83 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 38253630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).