N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide

C20H24N2O4S — CID 55327246

IUPACN-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-14-22(27(24,25)19-12-10-18(26-3)11-13-19)16-20(23)21(2)15-17-8-6-5-7-9-17/h4-13H,1,14-16H2,2-3H3
InChIKeyZDOQBKXVBYAXFI-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.53
Rot. Bonds9

About N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide

N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide (PubChem CID 55327246) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
PubChem CID55327246
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O4S/c1-4-14-22(27(24,25)19-12-10-18(26-3)11-13-19)16-20(23)21(2)15-17-8-6-5-7-9-17/h4-13H,1,14-16H2,2-3H3
InChIKeyZDOQBKXVBYAXFI-UHFFFAOYSA-N
XLogP2.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17418244
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 112788087
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide (CID 55327246) is N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide is C=CCN(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide?
The InChIKey is ZDOQBKXVBYAXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-14-22(27(24,25)19-12-10-18(26-3)11-13-19)16-20(23)21(2)15-17-8-6-5-7-9-17/h4-13H,1,14-16H2,2-3H3.
What are the key properties of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide?
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide has a molecular weight of 388.49 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide is sourced from PubChem (CID 55327246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).