3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide

C18H20Cl2N2O3S — CID 55711196

IUPAC3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(14-4-3-5-16(10-14)22-26(2,24)25)21-18(23)9-7-13-6-8-15(19)11-17(13)20/h3-6,8,10-12,22H,7,9H2,1-2H3,(H,21,23)
InChIKeyMPBQLAIQKPMTEG-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.17
Rot. Bonds7

About 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide

3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide (PubChem CID 55711196) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
PubChem CID55711196
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(14-4-3-5-16(10-14)22-26(2,24)25)21-18(23)9-7-13-6-8-15(19)11-17(13)20/h3-6,8,10-12,22H,7,9H2,1-2H3,(H,21,23)
InChIKeyMPBQLAIQKPMTEG-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718
3-(2,5-dimethoxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55666210
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 55666139
1-ethyl-3-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]urea
CID 94196351
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
3,3-dicyclopropyl-N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 52516223
3-(2,3-dimethylphenoxy)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55711377
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60512681
6-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]-4-methylhexanamide
CID 81371649
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-2-phenylmethoxyacetamide
CID 60512770
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide (CID 55711196) is 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide is CC(NC(=O)CCc1ccc(Cl)cc1Cl)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
The InChIKey is MPBQLAIQKPMTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12(14-4-3-5-16(10-14)22-26(2,24)25)21-18(23)9-7-13-6-8-15(19)11-17(13)20/h3-6,8,10-12,22H,7,9H2,1-2H3,(H,21,23).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide?
3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide has a molecular weight of 415.34 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]propanamide is sourced from PubChem (CID 55711196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).