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

C17H18F2N2O4S — CID 28549263

IUPAC(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C17H18F2N2O4S/c1-10-8-13(5-7-16(10)25-3)26(23,24)21-11(2)17(22)20-12-4-6-14(18)15(19)9-12/h4-9,11,21H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyADTUFZXBBKTEKO-LLVKDONJSA-N
MW384.40 g/mol
LogP2.59
Rot. Bonds6

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

(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide (PubChem CID 28549263) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
PubChem CID28549263
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C17H18F2N2O4S/c1-10-8-13(5-7-16(10)25-3)26(23,24)21-11(2)17(22)20-12-4-6-14(18)15(19)9-12/h4-9,11,21H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyADTUFZXBBKTEKO-LLVKDONJSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 28549239
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
CID 43872761
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
N-(2-ethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 2991878
(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28549425
N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
CID 118677106
(2S)-N-(3-chloro-4-fluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541863
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24537324

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide (CID 28549263) is (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1C.
What is the InChIKey of (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is ADTUFZXBBKTEKO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-10-8-13(5-7-16(10)25-3)26(23,24)21-11(2)17(22)20-12-4-6-14(18)15(19)9-12/h4-9,11,21H,1-3H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide?
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 384.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 28549263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).