3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide

C14H21ClN2O3S — CID 4139238

IUPAC3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3S/c1-17(2)8-7-16-14(18)6-9-21(19,20)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyRGOTUDKPXKKOME-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.32
Rot. Bonds8

About 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide

3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 4139238) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID4139238
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O3S/c1-17(2)8-7-16-14(18)6-9-21(19,20)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyRGOTUDKPXKKOME-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-chlorophenyl)methylsulfonyl]propanoylamino]ethyl-dimethylazanium
CID 4139237
N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
CID 4139316
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
N-butyl-2-[(3-chlorophenyl)methylsulfonyl]acetamide
CID 47155845
2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
3-[(3-chlorophenyl)methylsulfonyl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 92614646
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 113137081

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide (CID 4139238) is 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCS(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is RGOTUDKPXKKOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-17(2)8-7-16-14(18)6-9-21(19,20)11-12-4-3-5-13(15)10-12/h3-5,10H,6-9,11H2,1-2H3,(H,16,18).
What are the key properties of 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide?
3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 332.85 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 4139238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).