4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide

C21H26N2O5S — CID 155180650

IUPAC4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCCC1COCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-18-14-28-12-11-23(18)29(25,26)19-8-5-16(6-9-19)21(24)22-17-7-10-20(27-3)15(2)13-17/h5-10,13,18H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyAMJUZPASYLAFGK-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.06
Rot. Bonds6

About 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide

4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide (PubChem CID 155180650) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide
PubChem CID155180650
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide
SMILESCCC1COCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-18-14-28-12-11-23(18)29(25,26)19-8-5-16(6-9-19)21(24)22-17-7-10-20(27-3)15(2)13-17/h5-10,13,18H,4,11-12,14H2,1-3H3,(H,22,24)
InChIKeyAMJUZPASYLAFGK-UHFFFAOYSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 79961883
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CID 3962822
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4616708
4-bromo-3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
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CID 100679263
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4192820
4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 99968279
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
4-methyl-N-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352466
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
4-[4-(bromomethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 65480190

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide?
The IUPAC name of 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide (CID 155180650) is 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide.
What is the SMILES notation for 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide?
The canonical SMILES for 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide is CCC1COCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(C)c2)cc1.
What is the InChIKey of 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide?
The InChIKey is AMJUZPASYLAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-4-18-14-28-12-11-23(18)29(25,26)19-8-5-16(6-9-19)21(24)22-17-7-10-20(27-3)15(2)13-17/h5-10,13,18H,4,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide?
4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylmorpholin-4-yl)sulfonyl-N-(4-methoxy-3-methylphenyl)benzamide is sourced from PubChem (CID 155180650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).