N-ethylsulfonyl-3-phenylmethoxypropanamide

C12H17NO4S — CID 156816974

IUPACN-ethylsulfonyl-3-phenylmethoxypropanamide
SMILESCCS(=O)(=O)NC(=O)CCOCc1ccccc1
InChIInChI=1S/C12H17NO4S/c1-2-18(15,16)13-12(14)8-9-17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
InChIKeyQFZWQNULOFFSRY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.06
Rot. Bonds7

About N-ethylsulfonyl-3-phenylmethoxypropanamide

N-ethylsulfonyl-3-phenylmethoxypropanamide (PubChem CID 156816974) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-ethylsulfonyl-3-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-ethylsulfonyl-3-phenylmethoxypropanamide
PubChem CID156816974
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-ethylsulfonyl-3-phenylmethoxypropanamide
SMILESCCS(=O)(=O)NC(=O)CCOCc1ccccc1
InChIInChI=1S/C12H17NO4S/c1-2-18(15,16)13-12(14)8-9-17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
InChIKeyQFZWQNULOFFSRY-UHFFFAOYSA-N
XLogP1.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
1-phenylmethoxyhexane-3,4-dione
CID 561127
N-(4-nitrophenyl)sulfonyl-3-phenylmethoxypropanamide
CID 156816970
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
CID 60546055
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
2-fluoro-N'-(3-phenylmethoxypropanoyl)prop-2-enehydrazide
CID 167822930
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119363955
1-phenyl-4-phenylmethoxybutan-2-one
CID 134894703

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-3-phenylmethoxypropanamide?
The IUPAC name of N-ethylsulfonyl-3-phenylmethoxypropanamide (CID 156816974) is N-ethylsulfonyl-3-phenylmethoxypropanamide.
What is the SMILES notation for N-ethylsulfonyl-3-phenylmethoxypropanamide?
The canonical SMILES for N-ethylsulfonyl-3-phenylmethoxypropanamide is CCS(=O)(=O)NC(=O)CCOCc1ccccc1.
What is the InChIKey of N-ethylsulfonyl-3-phenylmethoxypropanamide?
The InChIKey is QFZWQNULOFFSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-2-18(15,16)13-12(14)8-9-17-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14).
What are the key properties of N-ethylsulfonyl-3-phenylmethoxypropanamide?
N-ethylsulfonyl-3-phenylmethoxypropanamide has a molecular weight of 271.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-3-phenylmethoxypropanamide is sourced from PubChem (CID 156816974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).