3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide

C14H21ClN2O3S — CID 47057115

IUPAC3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
SMILESCC(c1cccc(Cl)c1)N(C)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(12-4-3-5-13(15)10-12)17(2)7-9-21(19,20)8-6-14(16)18/h3-5,10-11H,6-9H2,1-2H3,(H2,16,18)
InChIKeyFRFSDRUPIBYZMC-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.62
Rot. Bonds8

About 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide

3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide (PubChem CID 47057115) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
PubChem CID47057115
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide
SMILESCC(c1cccc(Cl)c1)N(C)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(12-4-3-5-13(15)10-12)17(2)7-9-21(19,20)8-6-14(16)18/h3-5,10-11H,6-9H2,1-2H3,(H2,16,18)
InChIKeyFRFSDRUPIBYZMC-UHFFFAOYSA-N
XLogP1.62
TPSA80.47 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide
CID 94477615
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 76979743
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62985460
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
4-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethyl]aniline
CID 62979290
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
4-[1-(3-chlorophenyl)ethyl-methylsulfamoyl]butanoic acid
CID 61042054

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide (CID 47057115) is 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide is CC(c1cccc(Cl)c1)N(C)CCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide?
The InChIKey is FRFSDRUPIBYZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(12-4-3-5-13(15)10-12)17(2)7-9-21(19,20)8-6-14(16)18/h3-5,10-11H,6-9H2,1-2H3,(H2,16,18).
What are the key properties of 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide?
3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide has a molecular weight of 332.85 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethylsulfonyl]propanamide is sourced from PubChem (CID 47057115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).