N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide

C18H19Cl2NO3S — CID 4139316

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO3S/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-25(23,24)13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyRZXPFGWDWBPRIE-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.66
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide

N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide (PubChem CID 4139316) has the molecular formula C18H19Cl2NO3S and a molecular weight of 400.33 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
PubChem CID4139316
Molecular FormulaC18H19Cl2NO3S
Molecular Weight400.33 g/mol
Exact Mass399.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide
SMILESO=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO3S/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-25(23,24)13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyRZXPFGWDWBPRIE-UHFFFAOYSA-N
XLogP3.66
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 4139238
2-[3-[(3-chlorophenyl)methylsulfonyl]propanoylamino]ethyl-dimethylazanium
CID 4139237
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
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CID 109002830
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342653
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
N-[2-(3-chlorophenyl)ethyl]-3-cyanopropanamide
CID 94686976

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide (CID 4139316) is N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide is O=C(CCS(=O)(=O)Cc1cccc(Cl)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
The InChIKey is RZXPFGWDWBPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3S/c19-16-6-4-14(5-7-16)8-10-21-18(22)9-11-25(23,24)13-15-2-1-3-17(20)12-15/h1-7,12H,8-11,13H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide has a molecular weight of 400.33 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(3-chlorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4139316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).