2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

C18H29N3O5S — CID 92645558

IUPAC2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H29N3O5S/c1-4-21(14-18(22)19-7-8-20-9-11-26-12-10-20)27(23,24)16-5-6-17(25-3)15(2)13-16/h5-6,13H,4,7-12,14H2,1-3H3,(H,19,22)
InChIKeyRSFBVPXJXADLEN-UHFFFAOYSA-N
MW399.51 g/mol
LogP0.46
Rot. Bonds9

About 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 92645558) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID92645558
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Name2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H29N3O5S/c1-4-21(14-18(22)19-7-8-20-9-11-26-12-10-20)27(23,24)16-5-6-17(25-3)15(2)13-16/h5-6,13H,4,7-12,14H2,1-3H3,(H,19,22)
InChIKeyRSFBVPXJXADLEN-UHFFFAOYSA-N
XLogP0.46
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45372972
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45373996
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967556
N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 7457785
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 92645586
N-(1,3-benzodioxol-5-yl)-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645488
2-[(4-methoxy-3-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874647
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7421417
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 92645499
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92645567

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide (CID 92645558) is 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is CCN(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is RSFBVPXJXADLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-4-21(14-18(22)19-7-8-20-9-11-26-12-10-20)27(23,24)16-5-6-17(25-3)15(2)13-16/h5-6,13H,4,7-12,14H2,1-3H3,(H,19,22).
What are the key properties of 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide?
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 399.51 g/mol, XLogP of 0.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 92645558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).