2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide

C20H19ClN2O4S — CID 100788465

IUPAC2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESCN(c1ccc(CC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O4S/c1-23(28(25,26)19-10-6-16(21)7-11-19)17-8-4-15(5-9-17)13-20(24)22-14-18-3-2-12-27-18/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyOOVGPDOJEQUUHX-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.62
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide

2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 100788465) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID100788465
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESCN(c1ccc(CC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O4S/c1-23(28(25,26)19-10-6-16(21)7-11-19)17-8-4-15(5-9-17)13-20(24)22-14-18-3-2-12-27-18/h2-12H,13-14H2,1H3,(H,22,24)
InChIKeyOOVGPDOJEQUUHX-UHFFFAOYSA-N
XLogP3.62
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1315730
6-[(4-ethylphenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3435383
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
CID 133178296
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[4-[(4-acetamidophenyl)sulfonyl-methylamino]phenoxy]acetate
CID 3982898
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide (CID 100788465) is 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide is CN(c1ccc(CC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OOVGPDOJEQUUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-23(28(25,26)19-10-6-16(21)7-11-19)17-8-4-15(5-9-17)13-20(24)22-14-18-3-2-12-27-18/h2-12H,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide?
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 418.90 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 100788465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).