N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

C13H20N2O5S — CID 5154817

IUPACN-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O5S/c1-19-10-9-14-13(16)7-8-15-21(17,18)12-5-3-11(20-2)4-6-12/h3-6,15H,7-10H2,1-2H3,(H,14,16)
InChIKeyMUYMSAIVCYHSAS-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.13
Rot. Bonds9

About N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 5154817) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID5154817
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H20N2O5S/c1-19-10-9-14-13(16)7-8-15-21(17,18)12-5-3-11(20-2)4-6-12/h3-6,15H,7-10H2,1-2H3,(H,14,16)
InChIKeyMUYMSAIVCYHSAS-UHFFFAOYSA-N
XLogP0.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.13
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

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571060
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 5154817) is N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is COCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is MUYMSAIVCYHSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-19-10-9-14-13(16)7-8-15-21(17,18)12-5-3-11(20-2)4-6-12/h3-6,15H,7-10H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 316.38 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 5154817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).