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

C18H20ClFN2O3S — CID 113140376

IUPACN-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(12-10-14-2-6-16(20)7-3-14)13-11-18(23)21-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyOFVBGMRORQNKII-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.31
Rot. Bonds8

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

N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide (PubChem CID 113140376) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
PubChem CID113140376
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(12-10-14-2-6-16(20)7-3-14)13-11-18(23)21-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,21,23)
InChIKeyOFVBGMRORQNKII-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141326
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 113152600
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
N-(4-fluorophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147567
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide (CID 113140376) is N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCc1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
The InChIKey is OFVBGMRORQNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(12-10-14-2-6-16(20)7-3-14)13-11-18(23)21-17-8-4-15(19)5-9-17/h2-9H,10-13H2,1H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide?
N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide has a molecular weight of 398.89 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113140376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).