3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

C23H30N2O4S — CID 29203618

IUPAC3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N2O4S/c1-23(2,3)19-10-7-18(8-11-19)9-12-22(26)24-20-5-4-6-21(17-20)30(27,28)25-13-15-29-16-14-25/h4-8,10-11,17H,9,12-16H2,1-3H3,(H,24,26)
InChIKeyZSRICWRAHOAPHL-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.58
Rot. Bonds6

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

3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 29203618) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID29203618
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N2O4S/c1-23(2,3)19-10-7-18(8-11-19)9-12-22(26)24-20-5-4-6-21(17-20)30(27,28)25-13-15-29-16-14-25/h4-8,10-11,17H,9,12-16H2,1-3H3,(H,24,26)
InChIKeyZSRICWRAHOAPHL-UHFFFAOYSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
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3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
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3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
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7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119671802
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide (CID 29203618) is 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is ZSRICWRAHOAPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-23(2,3)19-10-7-18(8-11-19)9-12-22(26)24-20-5-4-6-21(17-20)30(27,28)25-13-15-29-16-14-25/h4-8,10-11,17H,9,12-16H2,1-3H3,(H,24,26).
What are the key properties of 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide?
3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 430.57 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 29203618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).