(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide

C18H20F2N2O4S — CID 28549474

IUPAC(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1C
InChIInChI=1S/C18H20F2N2O4S/c1-4-26-17-8-6-14(9-11(17)2)27(24,25)22-12(3)18(23)21-16-10-13(19)5-7-15(16)20/h5-10,12,22H,4H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQQNZVVYINSBZMY-GFCCVEGCSA-N
MW398.43 g/mol
LogP2.98
Rot. Bonds7

About (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide

(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide (PubChem CID 28549474) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
PubChem CID28549474
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC Name(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1C
InChIInChI=1S/C18H20F2N2O4S/c1-4-26-17-8-6-14(9-11(17)2)27(24,25)22-12(3)18(23)21-16-10-13(19)5-7-15(16)20/h5-10,12,22H,4H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQQNZVVYINSBZMY-GFCCVEGCSA-N
XLogP2.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
(2S)-N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165429
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanoic acid
CID 6462452
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 28549239
N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 28548744
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43889132
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
CID 43872761
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
CID 30165341
N-(2-ethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2950042
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide (CID 28549474) is (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2F)cc1C.
What is the InChIKey of (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is QQNZVVYINSBZMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-4-26-17-8-6-14(9-11(17)2)27(24,25)22-12(3)18(23)21-16-10-13(19)5-7-15(16)20/h5-10,12,22H,4H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide?
(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 398.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 28549474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).