(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide

C14H22N2O4S — CID 94812873

IUPAC(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1C
InChIInChI=1S/C14H22N2O4S/c1-5-15-14(17)11(4)16-21(18,19)13-8-7-12(20-6-2)9-10(13)3/h7-9,11,16H,5-6H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyPXGFDZUIWLUAKW-LLVKDONJSA-N
MW314.41 g/mol
LogP1.20
Rot. Bonds7

About (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide

(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 94812873) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID94812873
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1C
InChIInChI=1S/C14H22N2O4S/c1-5-15-14(17)11(4)16-21(18,19)13-8-7-12(20-6-2)9-10(13)3/h7-9,11,16H,5-6H2,1-4H3,(H,15,17)/t11-/m1/s1
InChIKeyPXGFDZUIWLUAKW-LLVKDONJSA-N
XLogP1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 80708583
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 9264822
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
2-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 79961871
2-(2,5-diethoxyanilino)-N-ethylpropanamide
CID 43088911
(2R)-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 8750759
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
CID 55939954
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide (CID 94812873) is (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OCC)cc1C.
What is the InChIKey of (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is PXGFDZUIWLUAKW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-15-14(17)11(4)16-21(18,19)13-8-7-12(20-6-2)9-10(13)3/h7-9,11,16H,5-6H2,1-4H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide?
(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 94812873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).