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

C8H15ClN2O4S — CID 79864342

IUPAC2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C8H15ClN2O4S/c1-6(9)7(12)10-8(13)11(2)4-5-16(3,14)15/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyAPZTZVHQQBVAJZ-UHFFFAOYSA-N
MW270.74 g/mol
LogP-0.17
Rot. Bonds4

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

2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide (PubChem CID 79864342) has the molecular formula C8H15ClN2O4S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide
PubChem CID79864342
Molecular FormulaC8H15ClN2O4S
Molecular Weight270.74 g/mol
Exact Mass270.04
IUPAC Name2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C8H15ClN2O4S/c1-6(9)7(12)10-8(13)11(2)4-5-16(3,14)15/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyAPZTZVHQQBVAJZ-UHFFFAOYSA-N
XLogP-0.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 5-0.17
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]acetamide
CID 79864431
2-chloro-N-[methyl(3-methylbutan-2-yl)carbamoyl]propanamide
CID 43570517
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 80756409
(2S)-3-methyl-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
CID 79864611
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
CID 79864248
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
3-(ethylamino)-N-methyl-N-(2-methylsulfonylethyl)butanamide
CID 79859181
methyl 2-[methyl(2-methylsulfonylethyl)amino]-2-oxoacetate
CID 112617435
2-amino-N,4-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858881
tert-butyl N-methyl-N-(2-methylsulfonylethyl)carbamate
CID 23061773
(2R)-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]hexanedioic acid
CID 107840451
2-[4-[methyl(2-methylsulfonylethyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 79846116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide (CID 79864342) is 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide?
The InChIKey is APZTZVHQQBVAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O4S/c1-6(9)7(12)10-8(13)11(2)4-5-16(3,14)15/h6H,4-5H2,1-3H3,(H,10,12,13).
What are the key properties of 2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide?
2-chloro-N-[methyl(2-methylsulfonylethyl)carbamoyl]propanamide has a molecular weight of 270.74 g/mol, XLogP of -0.17, 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]propanamide is sourced from PubChem (CID 79864342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).