2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide

C23H24ClN3O5S — CID 3207131

IUPAC2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H24ClN3O5S/c1-2-21(23(29)25-15-19-9-6-14-32-19)27(18-7-4-3-5-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h3-14,21,26H,2,15-16H2,1H3,(H,25,29)
InChIKeyKFSZHOYMWFPFBY-UHFFFAOYSA-N
MW489.98 g/mol
LogP3.34
Rot. Bonds10

About 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide

2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide (PubChem CID 3207131) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
PubChem CID3207131
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC Name2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C23H24ClN3O5S/c1-2-21(23(29)25-15-19-9-6-14-32-19)27(18-7-4-3-5-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h3-14,21,26H,2,15-16H2,1H3,(H,25,29)
InChIKeyKFSZHOYMWFPFBY-UHFFFAOYSA-N
XLogP3.34
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
CID 3206862
2-(2-fluoro-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3206939
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 3206824
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
CID 3207116
2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 1167420
N-(furan-2-ylmethyl)-2-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
CID 3206997
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402315
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254473
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide (CID 3207131) is 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide is CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is KFSZHOYMWFPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-2-21(23(29)25-15-19-9-6-14-32-19)27(18-7-4-3-5-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h3-14,21,26H,2,15-16H2,1H3,(H,25,29).
What are the key properties of 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide?
2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 489.98 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 3207131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).