3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide

C21H26N2O4S — CID 78869425

IUPAC3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCOC(C)(C)C2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-16(17-8-5-4-6-9-17)22-28(25,26)19-11-7-10-18(14-19)20(24)23-12-13-27-21(2,3)15-23/h4-11,14,16,22H,12-13,15H2,1-3H3
InChIKeyWSHTZRMZXICYAP-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.98
Rot. Bonds5

About 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide

3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 78869425) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID78869425
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C(=O)N2CCOC(C)(C)C2)c1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-16(17-8-5-4-6-9-17)22-28(25,26)19-11-7-10-18(14-19)20(24)23-12-13-27-21(2,3)15-23/h4-11,14,16,22H,12-13,15H2,1-3H3
InChIKeyWSHTZRMZXICYAP-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-3-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 78902809
4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 86981341
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-(1-phenylethyl)benzenesulfonamide
CID 119485029
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 97207164
3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 26004005
3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 26004001
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 72900468
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
4-(2,2-dimethylmorpholine-4-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86981327

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide (CID 78869425) is 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(C(=O)N2CCOC(C)(C)C2)c1)c1ccccc1.
What is the InChIKey of 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is WSHTZRMZXICYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16(17-8-5-4-6-9-17)22-28(25,26)19-11-7-10-18(14-19)20(24)23-12-13-27-21(2,3)15-23/h4-11,14,16,22H,12-13,15H2,1-3H3.
What are the key properties of 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide?
3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholine-4-carbonyl)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 78869425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).