2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide

C22H28N2O4S — CID 3647606

IUPAC2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17-8-11-20(29(26,27)24-12-14-28-15-13-24)16-21(17)22(25)23-18(2)9-10-19-6-4-3-5-7-19/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,23,25)
InChIKeyUTABSITTYKEIFR-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.77
Rot. Bonds7

About 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide

2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 3647606) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
PubChem CID3647606
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C22H28N2O4S/c1-17-8-11-20(29(26,27)24-12-14-28-15-13-24)16-21(17)22(25)23-18(2)9-10-19-6-4-3-5-7-19/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,23,25)
InChIKeyUTABSITTYKEIFR-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide (CID 3647606) is 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is UTABSITTYKEIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-8-11-20(29(26,27)24-12-14-28-15-13-24)16-21(17)22(25)23-18(2)9-10-19-6-4-3-5-7-19/h3-8,11,16,18H,9-10,12-15H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide?
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 416.54 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 3647606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).