N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide

C15H20Cl2N2O3S — CID 4793636

IUPACN-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NC(C)CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3S/c1-4-8-19(10-15(20)18-11(3)5-2)23(21,22)12-6-7-13(16)14(17)9-12/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,18,20)
InChIKeyQWCDVPZKLLIIPX-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.08
Rot. Bonds8

About N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide

N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide (PubChem CID 4793636) has the molecular formula C15H20Cl2N2O3S and a molecular weight of 379.31 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide
PubChem CID4793636
Molecular FormulaC15H20Cl2N2O3S
Molecular Weight379.31 g/mol
Exact Mass378.06
IUPAC NameN-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)NC(C)CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O3S/c1-4-8-19(10-15(20)18-11(3)5-2)23(21,22)12-6-7-13(16)14(17)9-12/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,18,20)
InChIKeyQWCDVPZKLLIIPX-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126012789
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92645712
[2-(butan-2-ylamino)-2-oxoethyl] 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 42978970
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 2292687
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2482590
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2S)-pentan-2-yl]acetamide
CID 9003871
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 9003870
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide (CID 4793636) is N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)NC(C)CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide?
The InChIKey is QWCDVPZKLLIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3S/c1-4-8-19(10-15(20)18-11(3)5-2)23(21,22)12-6-7-13(16)14(17)9-12/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide?
N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide has a molecular weight of 379.31 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3,4-dichlorophenyl)sulfonyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 4793636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).