4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C17H27N3O4S — CID 50946679

IUPAC4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCN(c1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)CC
InChIInChI=1S/C17H27N3O4S/c1-3-20(25(22,23)4-2)16-7-5-15(6-8-16)17(21)18-9-10-19-11-13-24-14-12-19/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)
InChIKeyHSSLBBCJAZFMBD-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.92
Rot. Bonds8

About 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 50946679) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID50946679
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCN(c1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)CC
InChIInChI=1S/C17H27N3O4S/c1-3-20(25(22,23)4-2)16-7-5-15(6-8-16)17(21)18-9-10-19-11-13-24-14-12-19/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)
InChIKeyHSSLBBCJAZFMBD-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 50946679) is 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is CCN(c1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)CC.
What is the InChIKey of 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is HSSLBBCJAZFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-3-20(25(22,23)4-2)16-7-5-15(6-8-16)17(21)18-9-10-19-11-13-24-14-12-19/h5-8H,3-4,9-14H2,1-2H3,(H,18,21).
What are the key properties of 4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[ethyl(ethylsulfonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 369.49 g/mol, XLogP of 0.92, 8 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-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 50946679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).