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

C18H19ClN2O4S — CID 55327618

IUPACN-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-3-12-21(13-18(22)20-17-7-5-4-6-16(17)19)26(23,24)15-10-8-14(25-2)9-11-15/h3-11H,1,12-13H2,2H3,(H,20,22)
InChIKeyPJPTWYJFNDHKCT-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.16
Rot. Bonds8

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

N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide (PubChem CID 55327618) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
PubChem CID55327618
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-3-12-21(13-18(22)20-17-7-5-4-6-16(17)19)26(23,24)15-10-8-14(25-2)9-11-15/h3-11H,1,12-13H2,2H3,(H,20,22)
InChIKeyPJPTWYJFNDHKCT-UHFFFAOYSA-N
XLogP3.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.16
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-prop-2-enylamino]acetamide
CID 17418244
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152317
4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55503201
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
CID 32510686
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 2985166
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
N-(2,3-dichlorophenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148224
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
N-(4-chloro-2-fluorophenyl)-2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17398186
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide (CID 55327618) is N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
The InChIKey is PJPTWYJFNDHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-3-12-21(13-18(22)20-17-7-5-4-6-16(17)19)26(23,24)15-10-8-14(25-2)9-11-15/h3-11H,1,12-13H2,2H3,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide?
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide has a molecular weight of 394.88 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 55327618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).