N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide

C18H28N2O5S — CID 55719060

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCOCC2CCCO2)c1
InChIInChI=1S/C18H28N2O5S/c1-14-5-6-15(2)17(12-14)26(22,23)20-9-8-19-18(21)7-11-24-13-16-4-3-10-25-16/h5-6,12,16,20H,3-4,7-11,13H2,1-2H3,(H,19,21)
InChIKeyZJDCKRWMOXTBTD-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.28
Rot. Bonds10

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55719060) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55719060
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCOCC2CCCO2)c1
InChIInChI=1S/C18H28N2O5S/c1-14-5-6-15(2)17(12-14)26(22,23)20-9-8-19-18(21)7-11-24-13-16-4-3-10-25-16/h5-6,12,16,20H,3-4,7-11,13H2,1-2H3,(H,19,21)
InChIKeyZJDCKRWMOXTBTD-UHFFFAOYSA-N
XLogP1.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.28
H-Bond Donors ≤ 52
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-(2,5-dimethylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269973
1-[3-(cyclopropylmethoxy)propyl]-3-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-methylguanidine
CID 111390579
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
2,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propanoylamino]propanoic acid
CID 119249846
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 125061925
[4-(oxolan-2-ylmethylcarbamoyl)phenyl] 2,5-dimethylbenzenesulfonate
CID 42906139
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 55719060) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide is Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCOCC2CCCO2)c1.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is ZJDCKRWMOXTBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c1-14-5-6-15(2)17(12-14)26(22,23)20-9-8-19-18(21)7-11-24-13-16-4-3-10-25-16/h5-6,12,16,20H,3-4,7-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 384.50 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55719060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).