N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C17H26N2O6S — CID 18892317

IUPACN-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H26N2O6S/c1-3-24-10-4-7-18-17(20)14-5-6-15(23-2)16(13-14)26(21,22)19-8-11-25-12-9-19/h5-6,13H,3-4,7-12H2,1-2H3,(H,18,20)
InChIKeyDCEPSRTXRUDJAI-UHFFFAOYSA-N
MW386.47 g/mol
LogP0.87
Rot. Bonds9

About N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 18892317) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID18892317
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC NameN-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H26N2O6S/c1-3-24-10-4-7-18-17(20)14-5-6-15(23-2)16(13-14)26(21,22)19-8-11-25-12-9-19/h5-6,13H,3-4,7-12H2,1-2H3,(H,18,20)
InChIKeyDCEPSRTXRUDJAI-UHFFFAOYSA-N
XLogP0.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55656696
N-[3-(cyclopropylmethoxy)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18120867
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55948159
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
N-(3-hydroxypropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892154
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 18892317) is N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is CCOCCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DCEPSRTXRUDJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-3-24-10-4-7-18-17(20)14-5-6-15(23-2)16(13-14)26(21,22)19-8-11-25-12-9-19/h5-6,13H,3-4,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 386.47 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 18892317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).