2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C20H25N3O4S — CID 94538736

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-22(28(25,26)19-5-3-2-4-6-19)16-20(24)21-15-17-7-9-18(10-8-17)23-11-13-27-14-12-23/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyCVXPQNKHKONJJP-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.46
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 94538736) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID94538736
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-22(28(25,26)19-5-3-2-4-6-19)16-20(24)21-15-17-7-9-18(10-8-17)23-11-13-27-14-12-23/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyCVXPQNKHKONJJP-UHFFFAOYSA-N
XLogP1.46
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55850501
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 100758181
2-[benzenesulfonyl(methyl)amino]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55711130
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 16588008
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
2-[methyl-(3-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55352514
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]-2-phenylacetamide
CID 125058003
2-[(3-cyanophenyl)sulfonyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7937740
2-[benzenesulfonyl(methyl)amino]-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 46422875
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43875007
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 94538736) is 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is CN(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is CVXPQNKHKONJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22(28(25,26)19-5-3-2-4-6-19)16-20(24)21-15-17-7-9-18(10-8-17)23-11-13-27-14-12-23/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 403.50 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 94538736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).