3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide

C12H16ClNO4S — CID 51091552

IUPAC3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
SMILESCS(=O)(=O)CCNC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-19(16,17)8-6-14-12(15)5-7-18-11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKeyMHVLRBYESWGKKP-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.27
Rot. Bonds7

About 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide

3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide (PubChem CID 51091552) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
PubChem CID51091552
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide
SMILESCS(=O)(=O)CCNC(=O)CCOc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-19(16,17)8-6-14-12(15)5-7-18-11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKeyMHVLRBYESWGKKP-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43428089
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
3-(3-chlorophenoxy)-N-(2,3-dihydroxypropyl)propanamide
CID 66177946
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
N-[2-(3-chlorophenyl)ethyl]-3-phenoxypropanamide
CID 113098409
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide (CID 51091552) is 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide is CS(=O)(=O)CCNC(=O)CCOc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is MHVLRBYESWGKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-19(16,17)8-6-14-12(15)5-7-18-11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,15).
What are the key properties of 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide?
3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 305.78 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 51091552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).