2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide

C21H34N2O4S — CID 44591353

IUPAC2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCc1ccc(NC(=O)C(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H34N2O4S/c1-15-8-9-16(22-19(24)18(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,18H,10-13H2,1-7H3,(H,22,24)
InChIKeySODYRJFAHCKEEJ-UHFFFAOYSA-N
MW410.58 g/mol
LogP3.66
Rot. Bonds4

About 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide

2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 44591353) has the molecular formula C21H34N2O4S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID44591353
Molecular FormulaC21H34N2O4S
Molecular Weight410.58 g/mol
Exact Mass410.22
IUPAC Name2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCc1ccc(NC(=O)C(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H34N2O4S/c1-15-8-9-16(22-19(24)18(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,18H,10-13H2,1-7H3,(H,22,24)
InChIKeySODYRJFAHCKEEJ-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-morpholin-4-ylsulfonyl-4-(trifluoromethyl)phenyl]acetamide
CID 146025594
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 5166849
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]cyclopropanecarboxamide
CID 5298782
4-Methyl-3-(morpholine-4-sulfonyl)aniline
CID 570632
N-(4-morpholin-4-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1105149
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 3500370
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide (CID 44591353) is 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide is Cc1ccc(NC(=O)C(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is SODYRJFAHCKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4S/c1-15-8-9-16(22-19(24)18(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,18H,10-13H2,1-7H3,(H,22,24).
What are the key properties of 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 410.58 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 44591353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).