2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

C20H24ClN3O6S — CID 3207117

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H24ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h2,4-8,10,16,23H,1,3,9,11-14H2,(H,22,25)
InChIKeyUNMYRUFOBQCFEG-UHFFFAOYSA-N
MW469.95 g/mol
LogP1.54
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (PubChem CID 3207117) has the molecular formula C20H24ClN3O6S and a molecular weight of 469.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
PubChem CID3207117
Molecular FormulaC20H24ClN3O6S
Molecular Weight469.95 g/mol
Exact Mass469.11
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H24ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h2,4-8,10,16,23H,1,3,9,11-14H2,(H,22,25)
InChIKeyUNMYRUFOBQCFEG-UHFFFAOYSA-N
XLogP1.54
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide with MolForge

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Related Compounds

1-(4-chlorobenzenesulfonyl)-N-((furan-2-yl)methyl)piperidine-4-carboxamide
CID 1042562
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CID 2822910
3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807529
2-[Ethyl-(4-methoxy-benzenesulfonyl)-amino]-N-furan-2-ylmethyl-acetamide
CID 6493385
4-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide
CID 1295876
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
4-chloro-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2822938
4-chloro-N-[(5-methylfuran-2-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 54586573
N1-(furan-2-ylmethyl)-N2-((3-((4-methoxyphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 16194817
2-[(2-Benzenesulfonylamino-acetyl)-furan-2-ylmethyl-amino]-pentanoic acid cyclohexylamide
CID 646714
2-(4-Chloro-benzenesulfonylamino)-N-[(4-fluoro-benzylcarbamoyl)-methyl]-N-furan-2-ylmethyl-acetamide
CID 648457
2-{[2-(4-Chloro-benzenesulfonylamino)-acetyl]-cyclopentyl-amino}-pentanoic acid (furan-2-ylmethyl)-amide
CID 651088

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide (CID 3207117) is 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
The InChIKey is UNMYRUFOBQCFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h2,4-8,10,16,23H,1,3,9,11-14H2,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide has a molecular weight of 469.95 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 3207117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).