4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

C18H29N3O4S — CID 53278570

IUPAC4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)CC
InChIInChI=1S/C18H29N3O4S/c1-3-21(26(23,24)4-2)17-8-6-16(7-9-17)18(22)19-10-5-11-20-12-14-25-15-13-20/h6-9H,3-5,10-15H2,1-2H3,(H,19,22)
InChIKeySQUNKKXHDPDTKO-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.31
Rot. Bonds9

About 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide

4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 53278570) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID53278570
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCCN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)CC
InChIInChI=1S/C18H29N3O4S/c1-3-21(26(23,24)4-2)17-8-6-16(7-9-17)18(22)19-10-5-11-20-12-14-25-15-13-20/h6-9H,3-5,10-15H2,1-2H3,(H,19,22)
InChIKeySQUNKKXHDPDTKO-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 53278570) is 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is CCN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)CC.
What is the InChIKey of 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SQUNKKXHDPDTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-3-21(26(23,24)4-2)17-8-6-16(7-9-17)18(22)19-10-5-11-20-12-14-25-15-13-20/h6-9H,3-5,10-15H2,1-2H3,(H,19,22).
What are the key properties of 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 383.51 g/mol, XLogP of 1.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(ethylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 53278570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).