4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide

C24H28N2O5S — CID 55808122

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide
SMILESCc1c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)oc2ccccc12
InChIInChI=1S/C24H28N2O5S/c1-15-13-26(14-16(2)30-15)32(28,29)20-11-9-19(10-12-20)24(27)25-18(4)23-17(3)21-7-5-6-8-22(21)31-23/h5-12,15-16,18H,13-14H2,1-4H3,(H,25,27)
InChIKeyYMVUZNUFWVRNFF-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.03
Rot. Bonds5

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide (PubChem CID 55808122) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide
PubChem CID55808122
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide
SMILESCc1c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)oc2ccccc12
InChIInChI=1S/C24H28N2O5S/c1-15-13-26(14-16(2)30-15)32(28,29)20-11-9-19(10-12-20)24(27)25-18(4)23-17(3)21-7-5-6-8-22(21)31-23/h5-12,15-16,18H,13-14H2,1-4H3,(H,25,27)
InChIKeyYMVUZNUFWVRNFF-UHFFFAOYSA-N
XLogP4.03
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxamide
CID 2141387
(2R)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid
CID 119368860
N-[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 98766905
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55580765
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55923133
methyl (2S)-2-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-3-hydroxypropanoate
CID 9277670
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
[(1S)-1-phenylethyl] 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 25471498

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide (CID 55808122) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide is Cc1c(C(C)NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)oc2ccccc12.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide?
The InChIKey is YMVUZNUFWVRNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-15-13-26(14-16(2)30-15)32(28,29)20-11-9-19(10-12-20)24(27)25-18(4)23-17(3)21-7-5-6-8-22(21)31-23/h5-12,15-16,18H,13-14H2,1-4H3,(H,25,27).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide has a molecular weight of 456.56 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 55808122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).