3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C24H32N2O5S — CID 32546042

IUPAC3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H32N2O5S/c1-24(2,3)19-8-5-18(6-9-19)7-12-23(27)25-21-17-20(10-11-22(21)30-4)32(28,29)26-13-15-31-16-14-26/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,25,27)
InChIKeyIBWPUAQGKGMFGJ-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.58
Rot. Bonds7

About 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 32546042) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID32546042
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H32N2O5S/c1-24(2,3)19-8-5-18(6-9-19)7-12-23(27)25-21-17-20(10-11-22(21)30-4)32(28,29)26-13-15-31-16-14-26/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,25,27)
InChIKeyIBWPUAQGKGMFGJ-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 24555019
4-methoxy-N,N-dimethyl-3-[3-(4-morpholin-4-ylsulfonylphenyl)propanoylamino]benzamide
CID 55893839
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29203618
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 5099345
2-(azepan-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4965549
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 32546042) is 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is IBWPUAQGKGMFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-24(2,3)19-8-5-18(6-9-19)7-12-23(27)25-21-17-20(10-11-22(21)30-4)32(28,29)26-13-15-31-16-14-26/h5-6,8-11,17H,7,12-16H2,1-4H3,(H,25,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 460.60 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 32546042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).