(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide

C13H19BrN2O5S — CID 9190128

IUPAC(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C13H19BrN2O5S/c1-5-15-13(17)8(2)16-22(18,19)12-7-11(21-4)10(20-3)6-9(12)14/h6-8,16H,5H2,1-4H3,(H,15,17)/t8-/m1/s1
InChIKeyWRCOBPYLKYRHBS-MRVPVSSYSA-N
MW395.28 g/mol
LogP1.27
Rot. Bonds7

About (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide

(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 9190128) has the molecular formula C13H19BrN2O5S and a molecular weight of 395.28 g/mol. Its IUPAC name is (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID9190128
Molecular FormulaC13H19BrN2O5S
Molecular Weight395.28 g/mol
Exact Mass394.02
IUPAC Name(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C13H19BrN2O5S/c1-5-15-13(17)8(2)16-22(18,19)12-7-11(21-4)10(20-3)6-9(12)14/h6-8,16H,5H2,1-4H3,(H,15,17)/t8-/m1/s1
InChIKeyWRCOBPYLKYRHBS-MRVPVSSYSA-N
XLogP1.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-4-bromo-2-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 81396931
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 80708583
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755913
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 8802619
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
methyl (3S)-3-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-3-cyclopropylpropanoate
CID 96535948
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826
2-bromo-4,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 55386981
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide (CID 9190128) is (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is WRCOBPYLKYRHBS-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19BrN2O5S/c1-5-15-13(17)8(2)16-22(18,19)12-7-11(21-4)10(20-3)6-9(12)14/h6-8,16H,5H2,1-4H3,(H,15,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide?
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 395.28 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 9190128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).