N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C23H27N3O5S — CID 55592925

IUPACN-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C23H27N3O5S/c1-4-26(17(2)19-7-5-18(16-24)6-8-19)23(27)21-15-20(9-10-22(21)30-3)32(28,29)25-11-13-31-14-12-25/h5-10,15,17H,4,11-14H2,1-3H3
InChIKeyXASKEIXKJLRRAI-UHFFFAOYSA-N
MW457.55 g/mol
LogP2.81
Rot. Bonds7

About N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55592925) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55592925
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)c1ccc(C#N)cc1
InChIInChI=1S/C23H27N3O5S/c1-4-26(17(2)19-7-5-18(16-24)6-8-19)23(27)21-15-20(9-10-22(21)30-3)32(28,29)25-11-13-31-14-12-25/h5-10,15,17H,4,11-14H2,1-3H3
InChIKeyXASKEIXKJLRRAI-UHFFFAOYSA-N
XLogP2.81
TPSA99.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)-methylamino]propanoic acid
CID 119358783
N-cyclopentyl-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55588122
(4-cyano-2-methoxyphenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 7936821
N-(3-aminobutyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119496106
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
(4-cyano-2-methoxyphenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate
CID 26891983
N-[2-(ethylamino)ethyl]-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 119505913
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(4-cyanophenyl) 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 7913061

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 55592925) is N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XASKEIXKJLRRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-4-26(17(2)19-7-5-18(16-24)6-8-19)23(27)21-15-20(9-10-22(21)30-3)32(28,29)25-11-13-31-14-12-25/h5-10,15,17H,4,11-14H2,1-3H3.
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 457.55 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55592925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).