(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide

C17H17F3N2O4S — CID 28549239

IUPAC(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C17H17F3N2O4S/c1-9-8-11(4-7-14(9)26-3)27(24,25)22-10(2)17(23)21-13-6-5-12(18)15(19)16(13)20/h4-8,10,22H,1-3H3,(H,21,23)/t10-/m0/s1
InChIKeyAZYDHVFQPOMWNS-JTQLQIEISA-N
MW402.39 g/mol
LogP2.73
Rot. Bonds6

About (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide

(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 28549239) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID28549239
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C17H17F3N2O4S/c1-9-8-11(4-7-14(9)26-3)27(24,25)22-10(2)17(23)21-13-6-5-12(18)15(19)16(13)20/h4-8,10,22H,1-3H3,(H,21,23)/t10-/m0/s1
InChIKeyAZYDHVFQPOMWNS-JTQLQIEISA-N
XLogP2.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
(2R)-N-(2,5-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549474
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28538818
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43889132
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28539595
N-(2,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 3958242
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744
(2R)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339682
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404005
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide (CID 28549239) is (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1C.
What is the InChIKey of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is AZYDHVFQPOMWNS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-9-8-11(4-7-14(9)26-3)27(24,25)22-10(2)17(23)21-13-6-5-12(18)15(19)16(13)20/h4-8,10,22H,1-3H3,(H,21,23)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide?
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 402.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 28549239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).