3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

C18H20ClFN2O3S — CID 113143798

IUPAC3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(17-4-2-3-15(19)13-17)12-10-18(23)21-11-9-14-5-7-16(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyLJMYWZJMQPOKST-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.99
Rot. Bonds8

About 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 113143798) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID113143798
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC Name3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(17-4-2-3-15(19)13-17)12-10-18(23)21-11-9-14-5-7-16(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyLJMYWZJMQPOKST-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
2-[4-(3-chloro-N-methylsulfonylanilino)butanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylbutanamide
CID 132681843
3-(3-chloro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113143812
N-(2-tert-butylsulfanylethyl)-4-(3-chloro-N-methylsulfonylanilino)butanamide
CID 53285469
4-(3-chloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 53285441
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244115
(2S)-2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylbutanamide
CID 100579314
2-(4-fluorophenyl)-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070438
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 113143798) is 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is CS(=O)(=O)N(CCC(=O)NCCc1ccc(F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is LJMYWZJMQPOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-26(24,25)22(17-4-2-3-15(19)13-17)12-10-18(23)21-11-9-14-5-7-16(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,23).
What are the key properties of 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 398.89 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 113143798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).