(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide

C18H18F4N2O4S — CID 28549435

IUPAC(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F4N2O4S/c1-3-28-13-5-7-14(8-6-13)29(26,27)24-11(2)17(25)23-12-4-9-16(19)15(10-12)18(20,21)22/h4-11,24H,3H2,1-2H3,(H,23,25)/t11-/m0/s1
InChIKeyATQSTZDMMUCBGR-NSHDSACASA-N
MW434.41 g/mol
LogP3.55
Rot. Bonds7

About (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide

(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 28549435) has the molecular formula C18H18F4N2O4S and a molecular weight of 434.41 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID28549435
Molecular FormulaC18H18F4N2O4S
Molecular Weight434.41 g/mol
Exact Mass434.09
IUPAC Name(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F4N2O4S/c1-3-28-13-5-7-14(8-6-13)29(26,27)24-11(2)17(25)23-12-4-9-16(19)15(10-12)18(20,21)22/h4-11,24H,3H2,1-2H3,(H,23,25)/t11-/m0/s1
InChIKeyATQSTZDMMUCBGR-NSHDSACASA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28549425
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
CID 43872761
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 9327605
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28551952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide (CID 28549435) is (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide is CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ATQSTZDMMUCBGR-NSHDSACASA-N. The full InChI is InChI=1S/C18H18F4N2O4S/c1-3-28-13-5-7-14(8-6-13)29(26,27)24-11(2)17(25)23-12-4-9-16(19)15(10-12)18(20,21)22/h4-11,24H,3H2,1-2H3,(H,23,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 434.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 28549435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).