2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide

C18H20ClFN2O4S — CID 43906630

IUPAC2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-11(13-4-7-15(20)8-5-13)21-18(23)12(2)22-27(24,25)17-10-14(19)6-9-16(17)26-3/h4-12,22H,1-3H3,(H,21,23)
InChIKeyALYXJPASSOQLJG-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.03
Rot. Bonds7

About 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide

2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 43906630) has the molecular formula C18H20ClFN2O4S and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID43906630
Molecular FormulaC18H20ClFN2O4S
Molecular Weight414.89 g/mol
Exact Mass414.08
IUPAC Name2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O4S/c1-11(13-4-7-15(20)8-5-13)21-18(23)12(2)22-27(24,25)17-10-14(19)6-9-16(17)26-3/h4-12,22H,1-3H3,(H,21,23)
InChIKeyALYXJPASSOQLJG-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30404026
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
CID 25040131
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28543081
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 125042859
(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861073
N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890502
N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890621
N-(2,6-difluorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890625
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 40932030

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 43906630) is 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide is COc1ccc(Cl)cc1S(=O)(=O)NC(C)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is ALYXJPASSOQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O4S/c1-11(13-4-7-15(20)8-5-13)21-18(23)12(2)22-27(24,25)17-10-14(19)6-9-16(17)26-3/h4-12,22H,1-3H3,(H,21,23).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide?
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 414.89 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 43906630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).