2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide

C18H29N3O4S — CID 113154221

IUPAC2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O4S/c1-4-16-7-5-6-15(2)18(16)21(26(3,23)24)14-17(22)19-8-9-20-10-12-25-13-11-20/h5-7H,4,8-14H2,1-3H3,(H,19,22)
InChIKeyGRSVYWLAMHDHHJ-UHFFFAOYSA-N
MW383.51 g/mol
LogP0.77
Rot. Bonds8

About 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide

2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 113154221) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID113154221
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1cccc(C)c1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O
InChIInChI=1S/C18H29N3O4S/c1-4-16-7-5-6-15(2)18(16)21(26(3,23)24)14-17(22)19-8-9-20-10-12-25-13-11-20/h5-7H,4,8-14H2,1-3H3,(H,19,22)
InChIKeyGRSVYWLAMHDHHJ-UHFFFAOYSA-N
XLogP0.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6493657
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30278155
2-(3-methylsulfanyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50945905
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(3-phenylpropyl)acetamide
CID 113154252
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
2-(3-cyano-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113157278
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
N-(2-morpholin-4-ylethyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157492
N-cyclopropyl-2-(2-ethyl-6-methyl-N-methylsulfonylanilino)acetamide
CID 113154205
2-(2,4-difluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 50946442
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide (CID 113154221) is 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is CCc1cccc(C)c1N(CC(=O)NCCN1CCOCC1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is GRSVYWLAMHDHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-16-7-5-6-15(2)18(16)21(26(3,23)24)14-17(22)19-8-9-20-10-12-25-13-11-20/h5-7H,4,8-14H2,1-3H3,(H,19,22).
What are the key properties of 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 383.51 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 113154221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).