3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

C18H29N3O5S — CID 113144868

IUPAC3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H29N3O5S/c1-3-26-17-6-4-16(5-7-17)21(27(2,23)24)10-8-18(22)19-9-11-20-12-14-25-15-13-20/h4-7H,3,8-15H2,1-2H3,(H,19,22)
InChIKeyFQHVUUCBEUNBAG-UHFFFAOYSA-N
MW399.51 g/mol
LogP0.69
Rot. Bonds10

About 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 113144868) has the molecular formula C18H29N3O5S and a molecular weight of 399.51 g/mol. Its IUPAC name is 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID113144868
Molecular FormulaC18H29N3O5S
Molecular Weight399.51 g/mol
Exact Mass399.18
IUPAC Name3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H29N3O5S/c1-3-26-17-6-4-16(5-7-17)21(27(2,23)24)10-8-18(22)19-9-11-20-12-14-25-15-13-20/h4-7H,3,8-15H2,1-2H3,(H,19,22)
InChIKeyFQHVUUCBEUNBAG-UHFFFAOYSA-N
XLogP0.69
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]propanamide
CID 113070592
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4130735
3-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113144884
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 43067273
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 100602099
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
4-(4-ethoxy-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286534

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 113144868) is 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is CCOc1ccc(N(CCC(=O)NCCN2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is FQHVUUCBEUNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5S/c1-3-26-17-6-4-16(5-7-17)21(27(2,23)24)10-8-18(22)19-9-11-20-12-14-25-15-13-20/h4-7H,3,8-15H2,1-2H3,(H,19,22).
What are the key properties of 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 399.51 g/mol, XLogP of 0.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 113144868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).