(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide

C17H20N2O4S — CID 94027199

IUPAC(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
SMILESCc1cccc(OCCNC(=O)[C@H](C)S(=O)(=O)c2ccccn2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-6-5-7-15(12-13)23-11-10-19-17(20)14(2)24(21,22)16-8-3-4-9-18-16/h3-9,12,14H,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyXEAMABQEBIEPGV-AWEZNQCLSA-N
MW348.42 g/mol
LogP1.75
Rot. Bonds7

About (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide

(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide (PubChem CID 94027199) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
PubChem CID94027199
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide
SMILESCc1cccc(OCCNC(=O)[C@H](C)S(=O)(=O)c2ccccn2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-6-5-7-15(12-13)23-11-10-19-17(20)14(2)24(21,22)16-8-3-4-9-18-16/h3-9,12,14H,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyXEAMABQEBIEPGV-AWEZNQCLSA-N
XLogP1.75
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
CID 94149721
2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 86923044
N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide
CID 86992799
(2R)-N-[2-(3-methylphenoxy)ethyl]-2-phenylsulfanylpropanamide
CID 30369620
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide
CID 124849874
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 133239821
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 94453898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide (CID 94027199) is (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide is Cc1cccc(OCCNC(=O)[C@H](C)S(=O)(=O)c2ccccn2)c1.
What is the InChIKey of (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide?
The InChIKey is XEAMABQEBIEPGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-6-5-7-15(12-13)23-11-10-19-17(20)14(2)24(21,22)16-8-3-4-9-18-16/h3-9,12,14H,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide?
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide has a molecular weight of 348.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-methylphenoxy)ethyl]-2-pyridin-2-ylsulfonylpropanamide is sourced from PubChem (CID 94027199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).