(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide

C12H18N2O5S — CID 124742237

IUPAC(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide
SMILESCCOc1cccc(S(=O)(=O)N[C@H](CO)C(=O)NC)c1
InChIInChI=1S/C12H18N2O5S/c1-3-19-9-5-4-6-10(7-9)20(17,18)14-11(8-15)12(16)13-2/h4-7,11,14-15H,3,8H2,1-2H3,(H,13,16)/t11-/m1/s1
InChIKeyXGPMYAQQVFPOSW-LLVKDONJSA-N
MW302.35 g/mol
LogP-0.53
Rot. Bonds7

About (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide

(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide (PubChem CID 124742237) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide
PubChem CID124742237
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide
SMILESCCOc1cccc(S(=O)(=O)N[C@H](CO)C(=O)NC)c1
InChIInChI=1S/C12H18N2O5S/c1-3-19-9-5-4-6-10(7-9)20(17,18)14-11(8-15)12(16)13-2/h4-7,11,14-15H,3,8H2,1-2H3,(H,13,16)/t11-/m1/s1
InChIKeyXGPMYAQQVFPOSW-LLVKDONJSA-N
XLogP-0.53
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
4-[(3-ethoxyphenyl)sulfonylamino]-5-phenylpentanoic acid
CID 120728791
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
CID 120998864
5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 136540449
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
3-[(2S)-2-hydroxypropoxy]-N-methylbenzenesulfonamide
CID 175061321
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
CID 61465866
5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282739
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide?
The IUPAC name of (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide (CID 124742237) is (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide is CCOc1cccc(S(=O)(=O)N[C@H](CO)C(=O)NC)c1.
What is the InChIKey of (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide?
The InChIKey is XGPMYAQQVFPOSW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-3-19-9-5-4-6-10(7-9)20(17,18)14-11(8-15)12(16)13-2/h4-7,11,14-15H,3,8H2,1-2H3,(H,13,16)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide?
(2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide has a molecular weight of 302.35 g/mol, XLogP of -0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-ethoxyphenyl)sulfonylamino]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 124742237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).