N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide

C13H20N2O4S — CID 47028889

IUPACN-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-11(19-10-12-6-4-3-5-7-12)13(16)14-8-9-15-20(2,17)18/h3-7,11,15H,8-10H2,1-2H3,(H,14,16)
InChIKeyJQDCIRPBPWEANP-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.26
Rot. Bonds8

About N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide

N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide (PubChem CID 47028889) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
PubChem CID47028889
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C13H20N2O4S/c1-11(19-10-12-6-4-3-5-7-12)13(16)14-8-9-15-20(2,17)18/h3-7,11,15H,8-10H2,1-2H3,(H,14,16)
InChIKeyJQDCIRPBPWEANP-UHFFFAOYSA-N
XLogP0.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
1-[2-(methanesulfonamido)ethyl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 36507811
benzyl 3-[2-(methanesulfonamido)ethylamino]-2-methylpropanoate
CID 106483936
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
(2S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-phenylmethoxypropanamide
CID 98774084
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
(2R)-2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylacetamide
CID 61156610
3-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 81064919

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide (CID 47028889) is N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide?
The InChIKey is JQDCIRPBPWEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-11(19-10-12-6-4-3-5-7-12)13(16)14-8-9-15-20(2,17)18/h3-7,11,15H,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide?
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide has a molecular weight of 300.38 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 47028889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).