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

C16H24N2O4S — CID 32510686

IUPAC2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
SMILESC=CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4S/c1-5-10-18(12-16(19)17-11-13(2)3)23(20,21)15-8-6-14(22-4)7-9-15/h5-9,13H,1,10-12H2,2-4H3,(H,17,19)
InChIKeyDDNBYGPACCEMGH-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.64
Rot. Bonds9

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

2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide (PubChem CID 32510686) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
PubChem CID32510686
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
SMILESC=CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4S/c1-5-10-18(12-16(19)17-11-13(2)3)23(20,21)15-8-6-14(22-4)7-9-15/h5-9,13H,1,10-12H2,2-4H3,(H,17,19)
InChIKeyDDNBYGPACCEMGH-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.64
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
4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55503201
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 2249335
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methylpropyl)acetamide
CID 4052422
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2482590
(E)-N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1226881

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide (CID 32510686) is 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide is C=CCN(CC(=O)NCC(C)C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is DDNBYGPACCEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-5-10-18(12-16(19)17-11-13(2)3)23(20,21)15-8-6-14(22-4)7-9-15/h5-9,13H,1,10-12H2,2-4H3,(H,17,19).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide?
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 32510686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).