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N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide

C19H20ClN3O4S — CID 41296798

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-13-3-5-15(6-4-13)9-10-28(26,27)21-12-19(25)23-16-7-8-18(17(20)11-16)22-14(2)24/h3-11,21H,12H2,1-2H3,(H,22,24)(H,23,25)/b10-9+
InChIKeyNHHUXBFCYOKOSX-MDZDMXLPSA-N
MW421.91 g/mol
LogP3.14
Rot. Bonds7

About N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide

N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide (PubChem CID 41296798) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
PubChem CID41296798
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H20ClN3O4S/c1-13-3-5-15(6-4-13)9-10-28(26,27)21-12-19(25)23-16-7-8-18(17(20)11-16)22-14(2)24/h3-11,21H,12H2,1-2H3,(H,22,24)(H,23,25)/b10-9+
InChIKeyNHHUXBFCYOKOSX-MDZDMXLPSA-N
XLogP3.14
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide (CID 41296798) is N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide is CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide?
The InChIKey is NHHUXBFCYOKOSX-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-13-3-5-15(6-4-13)9-10-28(26,27)21-12-19(25)23-16-7-8-18(17(20)11-16)22-14(2)24/h3-11,21H,12H2,1-2H3,(H,22,24)(H,23,25)/b10-9+.
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide?
N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide has a molecular weight of 421.91 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 41296798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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