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

C19H22N2O4S — CID 17418244

IUPACN-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-13-21(15-19(22)20-14-16-7-5-4-6-8-16)26(23,24)18-11-9-17(25-2)10-12-18/h3-12H,1,13-15H2,2H3,(H,20,22)
InChIKeySATJXDSWXJFZIN-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.19
Rot. Bonds9

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

N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide (PubChem CID 17418244) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
PubChem CID17418244
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-3-13-21(15-19(22)20-14-16-7-5-4-6-8-16)26(23,24)18-11-9-17(25-2)10-12-18/h3-12H,1,13-15H2,2H3,(H,20,22)
InChIKeySATJXDSWXJFZIN-UHFFFAOYSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119955
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
CID 32510686
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
2-[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 134127150
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100791189
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55503201
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372050
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
The IUPAC name of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide (CID 17418244) is N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
The InChIKey is SATJXDSWXJFZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-13-21(15-19(22)20-14-16-7-5-4-6-8-16)26(23,24)18-11-9-17(25-2)10-12-18/h3-12H,1,13-15H2,2H3,(H,20,22).
What are the key properties of N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 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]acetamide is sourced from PubChem (CID 17418244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).