N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

C25H35N3O5S — CID 26009460

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1
InChIInChI=1S/C25H35N3O5S/c1-5-27(6-2)14-15-32-23-12-10-22(11-13-23)26-25(29)21-8-7-9-24(16-21)34(30,31)28-17-19(3)33-20(4)18-28/h7-13,16,19-20H,5-6,14-15,17-18H2,1-4H3,(H,26,29)/t19-,20-/m0/s1
InChIKeyCRUIIKFHESZWDC-PMACEKPBSA-N
MW489.64 g/mol
LogP3.46
Rot. Bonds10

About N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (PubChem CID 26009460) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
PubChem CID26009460
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1
InChIInChI=1S/C25H35N3O5S/c1-5-27(6-2)14-15-32-23-12-10-22(11-13-23)26-25(29)21-8-7-9-24(16-21)34(30,31)28-17-19(3)33-20(4)18-28/h7-13,16,19-20H,5-6,14-15,17-18H2,1-4H3,(H,26,29)/t19-,20-/m0/s1
InChIKeyCRUIIKFHESZWDC-PMACEKPBSA-N
XLogP3.46
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-phenoxyethyl)benzamide
CID 4884718
N-[2-(4-chlorophenoxy)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43027985
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92535118
N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905906
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
N-(4-bromo-3-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41152859
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
2-(4-chlorophenoxy)ethyl 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 26462444

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (CID 26009460) is N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is CCN(CC)CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The InChIKey is CRUIIKFHESZWDC-PMACEKPBSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-5-27(6-2)14-15-32-23-12-10-22(11-13-23)26-25(29)21-8-7-9-24(16-21)34(30,31)28-17-19(3)33-20(4)18-28/h7-13,16,19-20H,5-6,14-15,17-18H2,1-4H3,(H,26,29)/t19-,20-/m0/s1.
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide has a molecular weight of 489.64 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is sourced from PubChem (CID 26009460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).