2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide

C7H13ClN2O4S — CID 79864431

IUPAC2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)NC(=O)CCl
InChIInChI=1S/C7H13ClN2O4S/c1-10(3-4-15(2,13)14)7(12)9-6(11)5-8/h3-5H2,1-2H3,(H,9,11,12)
InChIKeyARMICLGSWYAZCP-UHFFFAOYSA-N
MW256.71 g/mol
LogP-0.56
Rot. Bonds4

About 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide

2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide (PubChem CID 79864431) has the molecular formula C7H13ClN2O4S and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide
PubChem CID79864431
Molecular FormulaC7H13ClN2O4S
Molecular Weight256.71 g/mol
Exact Mass256.03
IUPAC Name2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide
SMILESCN(CCS(C)(=O)=O)C(=O)NC(=O)CCl
InChIInChI=1S/C7H13ClN2O4S/c1-10(3-4-15(2,13)14)7(12)9-6(11)5-8/h3-5H2,1-2H3,(H,9,11,12)
InChIKeyARMICLGSWYAZCP-UHFFFAOYSA-N
XLogP-0.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide
CID 79864342
N-[butyl(methyl)carbamoyl]-2-chloroacetamide
CID 43114794
2-chloro-N-[ethyl(methyl)carbamoyl]acetamide
CID 43243232
2-chloro-N-[methyl(propan-2-yl)carbamoyl]acetamide
CID 43114793
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 80756409
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
CID 79864248
methyl 2-[methyl(2-methylsulfonylethyl)amino]-2-oxoacetate
CID 112617435
2-chloro-N-[methyl(2-methylbutyl)carbamoyl]acetamide
CID 43296215
2-chloro-N-(3-methylsulfonylpropyl)acetamide
CID 61019975
4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864148
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
3-(4-acetylphenyl)-1-methyl-1-(2-methylsulfonylethyl)urea
CID 78924912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide (CID 79864431) is 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide is CN(CCS(C)(=O)=O)C(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide?
The InChIKey is ARMICLGSWYAZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O4S/c1-10(3-4-15(2,13)14)7(12)9-6(11)5-8/h3-5H2,1-2H3,(H,9,11,12).
What are the key properties of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide?
2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide has a molecular weight of 256.71 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]acetamide is sourced from PubChem (CID 79864431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).