4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide

C15H22N2O4S — CID 75397867

IUPAC4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-11(2)12-4-6-13(7-5-12)22(19,20)17-8-9-21-10-14(17)15(16)18/h4-7,11,14H,3,8-10H2,1-2H3,(H2,16,18)
InChIKeySSAJAIFGHKPNLL-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.07
Rot. Bonds5

About 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide

4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 75397867) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
PubChem CID75397867
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCOCC2C(N)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-11(2)12-4-6-13(7-5-12)22(19,20)17-8-9-21-10-14(17)15(16)18/h4-7,11,14H,3,8-10H2,1-2H3,(H2,16,18)
InChIKeySSAJAIFGHKPNLL-UHFFFAOYSA-N
XLogP1.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
1-(4-butan-2-ylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237853
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
4-(1-aminobutan-2-ylsulfonyl)morpholine-3-carboxamide
CID 83101327
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 83101664
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
(2S)-1-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 9439886
4-(3-amino-1-propylpyrazol-4-yl)sulfonylmorpholine-3-carboxamide
CID 83093925
4-[(2-methylphenyl)methylsulfonyl]morpholine-3-carboxamide
CID 136520750
1-(4-butan-2-ylphenyl)sulfonylpiperidine-2-carbaldehyde
CID 63845187
4-[[2-(aminomethyl)-3-pyridinyl]sulfonyl]morpholine-3-carboxamide
CID 106594820

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide (CID 75397867) is 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide is CCC(C)c1ccc(S(=O)(=O)N2CCOCC2C(N)=O)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is SSAJAIFGHKPNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-11(2)12-4-6-13(7-5-12)22(19,20)17-8-9-21-10-14(17)15(16)18/h4-7,11,14H,3,8-10H2,1-2H3,(H2,16,18).
What are the key properties of 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide?
4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 75397867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).