N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide

C14H20N2O4S — CID 168652539

IUPACN-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide
SMILESCC(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1NC=O
InChIInChI=1S/C14H20N2O4S/c1-11(2)21(18,19)14-4-3-12(9-13(14)15-10-17)16-5-7-20-8-6-16/h3-4,9-11H,5-8H2,1-2H3,(H,15,17)
InChIKeyFNTDEVJOGMJQFO-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.27
Rot. Bonds5

About N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide

N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide (PubChem CID 168652539) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide
PubChem CID168652539
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide
SMILESCC(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1NC=O
InChIInChI=1S/C14H20N2O4S/c1-11(2)21(18,19)14-4-3-12(9-13(14)15-10-17)16-5-7-20-8-6-16/h3-4,9-11H,5-8H2,1-2H3,(H,15,17)
InChIKeyFNTDEVJOGMJQFO-UHFFFAOYSA-N
XLogP1.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide?
The IUPAC name of N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide (CID 168652539) is N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide.
What is the SMILES notation for N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide?
The canonical SMILES for N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide is CC(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1NC=O.
What is the InChIKey of N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide?
The InChIKey is FNTDEVJOGMJQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11(2)21(18,19)14-4-3-12(9-13(14)15-10-17)16-5-7-20-8-6-16/h3-4,9-11H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide?
N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide has a molecular weight of 312.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide is sourced from PubChem (CID 168652539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).