3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide

C22H28N2O4S — CID 2671800

IUPAC3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17(2)19-8-6-18(7-9-19)10-11-23-22(25)20-4-3-5-21(16-20)29(26,27)24-12-14-28-15-13-24/h3-9,16-17H,10-15H2,1-2H3,(H,23,25)
InChIKeyNRNDTIRCVXNDTL-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.80
Rot. Bonds7

About 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide

3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 2671800) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID2671800
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17(2)19-8-6-18(7-9-19)10-11-23-22(25)20-4-3-5-21(16-20)29(26,27)24-12-14-28-15-13-24/h3-9,16-17H,10-15H2,1-2H3,(H,23,25)
InChIKeyNRNDTIRCVXNDTL-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide (CID 2671800) is 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide is CC(C)c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is NRNDTIRCVXNDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(2)19-8-6-18(7-9-19)10-11-23-22(25)20-4-3-5-21(16-20)29(26,27)24-12-14-28-15-13-24/h3-9,16-17H,10-15H2,1-2H3,(H,23,25).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 416.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 2671800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).