N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide

C20H24N2O4S — CID 110352919

IUPACN-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
SMILESCC1COCCN1C(=O)c1cccc(NS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4S/c1-16-15-26-12-11-22(16)20(23)18-8-5-9-19(14-18)21-27(24,25)13-10-17-6-3-2-4-7-17/h2-9,14,16,21H,10-13,15H2,1H3
InChIKeyBRVQQMZTRGMUHZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.53
Rot. Bonds6

About N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide

N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide (PubChem CID 110352919) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
PubChem CID110352919
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide
SMILESCC1COCCN1C(=O)c1cccc(NS(=O)(=O)CCc2ccccc2)c1
InChIInChI=1S/C20H24N2O4S/c1-16-15-26-12-11-22(16)20(23)18-8-5-9-19(14-18)21-27(24,25)13-10-17-6-3-2-4-7-17/h2-9,14,16,21H,10-13,15H2,1H3
InChIKeyBRVQQMZTRGMUHZ-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-[3-(3-methylmorpholine-4-carbonyl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 110352918
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110614469
[3-(cyclopentylsulfamoylamino)phenyl]-(3-methylmorpholin-4-yl)methanone
CID 110614470
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352861
2-(2-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671851
1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110352872
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110671836
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide (CID 110352919) is N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide is CC1COCCN1C(=O)c1cccc(NS(=O)(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is BRVQQMZTRGMUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-15-26-12-11-22(16)20(23)18-8-5-9-19(14-18)21-27(24,25)13-10-17-6-3-2-4-7-17/h2-9,14,16,21H,10-13,15H2,1H3.
What are the key properties of N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide?
N-[3-(3-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-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110352919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).