2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide

C19H21ClFNO4S — CID 3720706

IUPAC2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)N(C(=O)C(C)c1ccc(Cl)cc1)c1ccc(OC)c(F)c1
InChIInChI=1S/C19H21ClFNO4S/c1-4-11-27(24,25)22(16-9-10-18(26-3)17(21)12-16)19(23)13(2)14-5-7-15(20)8-6-14/h5-10,12-13H,4,11H2,1-3H3
InChIKeyDZSVWWRGDRJHHE-UHFFFAOYSA-N
MW413.90 g/mol
LogP4.36
Rot. Bonds7

About 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide

2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide (PubChem CID 3720706) has the molecular formula C19H21ClFNO4S and a molecular weight of 413.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide
PubChem CID3720706
Molecular FormulaC19H21ClFNO4S
Molecular Weight413.90 g/mol
Exact Mass413.09
IUPAC Name2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)N(C(=O)C(C)c1ccc(Cl)cc1)c1ccc(OC)c(F)c1
InChIInChI=1S/C19H21ClFNO4S/c1-4-11-27(24,25)22(16-9-10-18(26-3)17(21)12-16)19(23)13(2)14-5-7-15(20)8-6-14/h5-10,12-13H,4,11H2,1-3H3
InChIKeyDZSVWWRGDRJHHE-UHFFFAOYSA-N
XLogP4.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylhex-3-enamide
CID 3301317
N-(3-fluoro-4-methoxyphenyl)-3-methoxy-4-nitro-N-propylsulfonylbenzamide
CID 3749800
N-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-N-propylsulfonylpyrrole-3-carboxamide
CID 3865913
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
1-(3-fluoro-4-methoxyphenyl)-2-propylsulfonylethanamine
CID 82359979
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylfuran-2-carboxamide
CID 3834200
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100677761
5-chloro-N-[1-(4-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 46023207

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide (CID 3720706) is 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide is CCCS(=O)(=O)N(C(=O)C(C)c1ccc(Cl)cc1)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide?
The InChIKey is DZSVWWRGDRJHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO4S/c1-4-11-27(24,25)22(16-9-10-18(26-3)17(21)12-16)19(23)13(2)14-5-7-15(20)8-6-14/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide?
2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide has a molecular weight of 413.90 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylpropanamide is sourced from PubChem (CID 3720706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).