2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide

C14H19ClN2O6S — CID 155945677

IUPAC2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)CN(C)C(C)=O
InChIInChI=1S/C14H19ClN2O6S/c1-10(18)17(2)9-14(19)16-24(20,21)13-8-11(15)4-5-12(13)23-7-6-22-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyFJSUGHXOQZDDDK-UHFFFAOYSA-N
MW378.83 g/mol
LogP0.65
Rot. Bonds8

About 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide

2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide (PubChem CID 155945677) has the molecular formula C14H19ClN2O6S and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
PubChem CID155945677
Molecular FormulaC14H19ClN2O6S
Molecular Weight378.83 g/mol
Exact Mass378.07
IUPAC Name2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)CN(C)C(C)=O
InChIInChI=1S/C14H19ClN2O6S/c1-10(18)17(2)9-14(19)16-24(20,21)13-8-11(15)4-5-12(13)23-7-6-22-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,19)
InChIKeyFJSUGHXOQZDDDK-UHFFFAOYSA-N
XLogP0.65
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide
CID 155945670
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
CID 154755060
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
CID 155949392
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
CID 155949381
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
N-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(4-chlorophenyl)acetamide
CID 166189927

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide (CID 155945677) is 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide is COCCOc1ccc(Cl)cc1S(=O)(=O)NC(=O)CN(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
The InChIKey is FJSUGHXOQZDDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O6S/c1-10(18)17(2)9-14(19)16-24(20,21)13-8-11(15)4-5-12(13)23-7-6-22-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide has a molecular weight of 378.83 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide is sourced from PubChem (CID 155945677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).