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

C20H24ClN3O6S — CID 3207100

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)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/h1,3,5-9,17,23H,2,4,10-14H2,(H,22,25)
InChIKeyQPFREVMXMGVUPM-UHFFFAOYSA-N
MW469.95 g/mol
LogP1.54
Rot. Bonds10

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

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3207100) has the molecular formula C20H24ClN3O6S and a molecular weight of 469.95 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-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3207100
Molecular FormulaC20H24ClN3O6S
Molecular Weight469.95 g/mol
Exact Mass469.11
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)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/h1,3,5-9,17,23H,2,4,10-14H2,(H,22,25)
InChIKeyQPFREVMXMGVUPM-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-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 651872
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207132
2-[(4-cyclohexylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254541
N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3206947
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 3207001
N-benzyl-2-[(4-fluorophenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207020
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254473
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
2,4-dichloro-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 3361350
2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
CID 3389812

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-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-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)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-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-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-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)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-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3207100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).