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

C15H17ClN2O4S — CID 1247881

IUPAC2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4S/c1-2-18(11-15(19)17-10-13-4-3-9-22-13)23(20,21)14-7-5-12(16)6-8-14/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyGRYGAOBDYWHURJ-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.26
Rot. Bonds7

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

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1247881) has the molecular formula C15H17ClN2O4S and a molecular weight of 356.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
PubChem CID1247881
Molecular FormulaC15H17ClN2O4S
Molecular Weight356.83 g/mol
Exact Mass356.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O4S/c1-2-18(11-15(19)17-10-13-4-3-9-22-13)23(20,21)14-7-5-12(16)6-8-14/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKeyGRYGAOBDYWHURJ-UHFFFAOYSA-N
XLogP2.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3163582
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1315730
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
4-(diethylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 2596785
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 100788465
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3894856
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
5-(diethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzamide
CID 9080458

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide (CID 1247881) is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide is CCN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is GRYGAOBDYWHURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S/c1-2-18(11-15(19)17-10-13-4-3-9-22-13)23(20,21)14-7-5-12(16)6-8-14/h3-9H,2,10-11H2,1H3,(H,17,19).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 356.83 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1247881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).