3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide

C23H29N3O5S — CID 26905232

IUPAC3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C23H29N3O5S/c1-4-18-8-5-6-11-21(18)25-22(27)13-24-23(28)19-9-7-10-20(12-19)32(29,30)26-14-16(2)31-17(3)15-26/h5-12,16-17H,4,13-15H2,1-3H3,(H,24,28)(H,25,27)/t16-,17-/m0/s1
InChIKeyKHIDQIMWNOZQQJ-IRXDYDNUSA-N
MW459.57 g/mol
LogP2.42
Rot. Bonds7

About 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide

3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide (PubChem CID 26905232) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
PubChem CID26905232
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1
InChIInChI=1S/C23H29N3O5S/c1-4-18-8-5-6-11-21(18)25-22(27)13-24-23(28)19-9-7-10-20(12-19)32(29,30)26-14-16(2)31-17(3)15-26/h5-12,16-17H,4,13-15H2,1-3H3,(H,24,28)(H,25,27)/t16-,17-/m0/s1
InChIKeyKHIDQIMWNOZQQJ-IRXDYDNUSA-N
XLogP2.42
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
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3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
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CID 55370203
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CID 4800684
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
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CID 24979269
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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide (CID 26905232) is 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide is CCc1ccccc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1.
What is the InChIKey of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The InChIKey is KHIDQIMWNOZQQJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-4-18-8-5-6-11-21(18)25-22(27)13-24-23(28)19-9-7-10-20(12-19)32(29,30)26-14-16(2)31-17(3)15-26/h5-12,16-17H,4,13-15H2,1-3H3,(H,24,28)(H,25,27)/t16-,17-/m0/s1.
What are the key properties of 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide has a molecular weight of 459.57 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 26905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).