2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide

C23H32ClN3O5S — CID 3207116

IUPAC2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)(C)CC)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN3O5S/c1-5-8-20(22(29)26-23(3,4)6-2)27(16-18-9-7-14-32-18)21(28)15-25-33(30,31)19-12-10-17(24)11-13-19/h7,9-14,20,25H,5-6,8,15-16H2,1-4H3,(H,26,29)
InChIKeyVYPQMKAOLZWNJU-UHFFFAOYSA-N
MW498.05 g/mol
LogP3.71
Rot. Bonds12

About 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide

2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide (PubChem CID 3207116) has the molecular formula C23H32ClN3O5S and a molecular weight of 498.05 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
PubChem CID3207116
Molecular FormulaC23H32ClN3O5S
Molecular Weight498.05 g/mol
Exact Mass497.18
IUPAC Name2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
SMILESCCCC(C(=O)NC(C)(C)CC)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H32ClN3O5S/c1-5-8-20(22(29)26-23(3,4)6-2)27(16-18-9-7-14-32-18)21(28)15-25-33(30,31)19-12-10-17(24)11-13-19/h7,9-14,20,25H,5-6,8,15-16H2,1-4H3,(H,26,29)
InChIKeyVYPQMKAOLZWNJU-UHFFFAOYSA-N
XLogP3.71
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide with MolForge

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Related Compounds

2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide
CID 3206914
2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 1167420
N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide
CID 3206911
2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3207131
2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
CID 3206997
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 3206824
2-(2-fluoro-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3206939
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
N-tert-butyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]pentanamide
CID 3178752
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 654223
4-amino-5-N-[(2R)-1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(furan-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide
CID 7116596
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)butanamide
CID 3206862

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
The IUPAC name of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide (CID 3207116) is 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide is CCCC(C(=O)NC(C)(C)CC)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
The InChIKey is VYPQMKAOLZWNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O5S/c1-5-8-20(22(29)26-23(3,4)6-2)27(16-18-9-7-14-32-18)21(28)15-25-33(30,31)19-12-10-17(24)11-13-19/h7,9-14,20,25H,5-6,8,15-16H2,1-4H3,(H,26,29).
What are the key properties of 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide?
2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide has a molecular weight of 498.05 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 3207116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).