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

C17H18F2N2O4S — CID 28549425

IUPAC(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-3-25-13-5-7-14(8-6-13)26(23,24)21-11(2)17(22)20-12-4-9-15(18)16(19)10-12/h4-11,21H,3H2,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyMDVAYHPCBZXDRD-LLVKDONJSA-N
MW384.40 g/mol
LogP2.67
Rot. Bonds7

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

(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 28549425) 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-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID28549425
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O4S/c1-3-25-13-5-7-14(8-6-13)26(23,24)21-11(2)17(22)20-12-4-9-15(18)16(19)10-12/h4-11,21H,3H2,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeyMDVAYHPCBZXDRD-LLVKDONJSA-N
XLogP2.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 28549435
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-difluorophenyl)propanamide
CID 43872761
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
(2R)-N-(3,4-difluorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28549263
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 46619042
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 9327605
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 28549425) is (2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of (2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is MDVAYHPCBZXDRD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-3-25-13-5-7-14(8-6-13)26(23,24)21-11(2)17(22)20-12-4-9-15(18)16(19)10-12/h4-11,21H,3H2,1-2H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 384.40 g/mol, XLogP of 2.67, 7 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-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 28549425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).