2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide

C20H24ClN3O6S — CID 3207100

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESC1CC(OC1)CN(CC(=O)NCC2=CC=CO2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Cl
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/h1,3,5-9,17,23H,2,4,10-14H2,(H,22,25)
InChIKeyQPFREVMXMGVUPM-UHFFFAOYSA-N
MW469.90 g/mol
LogP1.40
Rot. Bonds10

About 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide

2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide (PubChem CID 3207100) has the molecular formula C20H24ClN3O6S and a molecular weight of 469.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide
PubChem CID3207100
Molecular FormulaC20H24ClN3O6S
Molecular Weight469.90 g/mol
Exact Mass469.11
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESC1CC(OC1)CN(CC(=O)NCC2=CC=CO2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Cl
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/h1,3,5-9,17,23H,2,4,10-14H2,(H,22,25)
InChIKeyQPFREVMXMGVUPM-UHFFFAOYSA-N
XLogP1.40
TPSA126.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity708

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide?
The IUPAC name of 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide (CID 3207100) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide?
The canonical SMILES for 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide is C1CC(OC1)CN(CC(=O)NCC2=CC=CO2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Cl.
What is the InChIKey of 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide?
The InChIKey is QPFREVMXMGVUPM-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/h1,3,5-9,17,23H,2,4,10-14H2,(H,22,25).
What are the key properties of 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide?
2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide has a molecular weight of 469.90 g/mol, XLogP of 1.40, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-Chloro-benzenesulfonylamino)-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-(tetrahydro-furan-2-ylmethyl)-acetamide is sourced from PubChem (CID 3207100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).