2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide

C20H24N2O4S — CID 984387

IUPAC2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-3-4-16(2)19(13-15)27(24,25)21-14-17-5-7-18(8-6-17)20(23)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeyCJZWGNFWJYFAEW-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.25
Rot. Bonds5

About 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide

2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 984387) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID984387
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-15-3-4-16(2)19(13-15)27(24,25)21-14-17-5-7-18(8-6-17)20(23)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeyCJZWGNFWJYFAEW-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide (CID 984387) is 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is CJZWGNFWJYFAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-3-4-16(2)19(13-15)27(24,25)21-14-17-5-7-18(8-6-17)20(23)22-9-11-26-12-10-22/h3-8,13,21H,9-12,14H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide?
2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 984387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).