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

C18H20ClFN2O3S — CID 113141412

IUPAC3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc(F)c1)CCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(10-8-14-4-2-5-15(19)12-14)11-9-18(23)21-17-7-3-6-16(20)13-17/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyPOUVEHJTUYAMPE-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.31
Rot. Bonds8

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

3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide (PubChem CID 113141412) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
PubChem CID113141412
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc(F)c1)CCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(10-8-14-4-2-5-15(19)12-14)11-9-18(23)21-17-7-3-6-16(20)13-17/h2-7,12-13H,8-11H2,1H3,(H,21,23)
InChIKeyPOUVEHJTUYAMPE-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

3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140419
N-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]propanamide
CID 113140376
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
3-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylpropanamide
CID 113140448
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide (CID 113141412) is 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide is CS(=O)(=O)N(CCC(=O)Nc1cccc(F)c1)CCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide?
The InChIKey is POUVEHJTUYAMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(10-8-14-4-2-5-15(19)12-14)11-9-18(23)21-17-7-3-6-16(20)13-17/h2-7,12-13H,8-11H2,1H3,(H,21,23).
What are the key properties of 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide?
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)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 3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 113141412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).