3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide

C19H22N2O4S — CID 4541490

IUPAC3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-15(16-6-3-2-4-7-16)20-19(22)17-8-5-9-18(14-17)26(23,24)21-10-12-25-13-11-21/h2-9,14-15H,10-13H2,1H3,(H,20,22)
InChIKeyXRKGNWQDXYGBGH-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.20
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide

3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide (PubChem CID 4541490) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
PubChem CID4541490
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-15(16-6-3-2-4-7-16)20-19(22)17-8-5-9-18(14-17)26(23,24)21-10-12-25-13-11-21/h2-9,14-15H,10-13H2,1H3,(H,20,22)
InChIKeyXRKGNWQDXYGBGH-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55893625
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
3-morpholin-4-ylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886460
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide (CID 4541490) is 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide?
The InChIKey is XRKGNWQDXYGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15(16-6-3-2-4-7-16)20-19(22)17-8-5-9-18(14-17)26(23,24)21-10-12-25-13-11-21/h2-9,14-15H,10-13H2,1H3,(H,20,22).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide?
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4541490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).