2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

C19H22N2O4S — CID 110824752

IUPAC2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N2O4S/c22-19(15-20-14-16-5-2-1-3-6-16)17-7-4-8-18(13-17)26(23,24)21-9-11-25-12-10-21/h1-8,13,20H,9-12,14-15H2
InChIKeyWGYRDDIGRWBJOY-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.68
Rot. Bonds7

About 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone

2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 110824752) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID110824752
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
SMILESO=C(CNCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H22N2O4S/c22-19(15-20-14-16-5-2-1-3-6-16)17-7-4-8-18(13-17)26(23,24)21-9-11-25-12-10-21/h1-8,13,20H,9-12,14-15H2
InChIKeyWGYRDDIGRWBJOY-UHFFFAOYSA-N
XLogP1.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylanilino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110824761
2-[(4-methoxyphenyl)methylamino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824502
2-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-(3-morpholin-4-ylsulfonylphenyl)ethanone
CID 110829599
2-(4-morpholin-4-ylsulfonylanilino)-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828945
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
phenacyl 3-morpholin-4-ylsulfonylbenzoate
CID 1124162
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857
(3-morpholin-4-ylsulfonylphenyl)methyl 2-benzamidoacetate
CID 7783364
1-(3-morpholin-4-ylsulfonylphenyl)-2-(1,3-thiazol-2-ylamino)ethanone
CID 110824781
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone (CID 110824752) is 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is O=C(CNCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is WGYRDDIGRWBJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(15-20-14-16-5-2-1-3-6-16)17-7-4-8-18(13-17)26(23,24)21-9-11-25-12-10-21/h1-8,13,20H,9-12,14-15H2.
What are the key properties of 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone?
2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 374.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(3-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 110824752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).