N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide

C20H24N2O4S — CID 110352756

IUPACN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)CCO1
InChIInChI=1S/C20H24N2O4S/c1-16-15-22(12-13-26-16)20(23)18-7-9-19(10-8-18)21-27(24,25)14-11-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3
InChIKeyBQUFJNGYGQXPMS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.53
Rot. Bonds6

About N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide (PubChem CID 110352756) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
PubChem CID110352756
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
SMILESCC1CN(C(=O)c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)CCO1
InChIInChI=1S/C20H24N2O4S/c1-16-15-22(12-13-26-16)20(23)18-7-9-19(10-8-18)21-27(24,25)14-11-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3
InChIKeyBQUFJNGYGQXPMS-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
5-ethyl-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 110352750
5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 51293162
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
N-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl]formamide
CID 86790082
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylphenyl)propanamide
CID 110671816
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenoxypropanamide
CID 110352712
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
N-(3,4-dimethylphenyl)-4-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 46674476
(4-iodo-3-phenylmethoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647307

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide (CID 110352756) is N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide is CC1CN(C(=O)c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is BQUFJNGYGQXPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-15-22(12-13-26-16)20(23)18-7-9-19(10-8-18)21-27(24,25)14-11-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3.
What are the key properties of N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110352756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).