N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C16H25N3O5S — CID 119505913

IUPACN-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCNCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C16H25N3O5S/c1-3-17-6-7-18-16(20)14-12-13(4-5-15(14)23-2)25(21,22)19-8-10-24-11-9-19/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyMVCIGIRNXLUBGJ-UHFFFAOYSA-N
MW371.46 g/mol
LogP0.06
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 119505913) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID119505913
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC NameN-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCNCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC
InChIInChI=1S/C16H25N3O5S/c1-3-17-6-7-18-16(20)14-12-13(4-5-15(14)23-2)25(21,22)19-8-10-24-11-9-19/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyMVCIGIRNXLUBGJ-UHFFFAOYSA-N
XLogP0.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119405950
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 9402832
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55586581
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591075
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3560058
2-methoxy-5-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450765
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 119505913) is N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is CCNCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MVCIGIRNXLUBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-3-17-6-7-18-16(20)14-12-13(4-5-15(14)23-2)25(21,22)19-8-10-24-11-9-19/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 119505913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).