2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide

C23H30FN3O5S — CID 3206997

IUPAC2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H30FN3O5S/c1-2-6-21(23(29)25-15-19-9-5-14-32-19)27(18-7-3-4-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h5,9-14,18,21,26H,2-4,6-8,15-16H2,1H3,(H,25,29)
InChIKeyTYKDAURZXZQOJA-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.95
Rot. Bonds11

About 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide

2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide (PubChem CID 3206997) has the molecular formula C23H30FN3O5S and a molecular weight of 479.57 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
PubChem CID3206997
Molecular FormulaC23H30FN3O5S
Molecular Weight479.57 g/mol
Exact Mass479.19
IUPAC Name2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C23H30FN3O5S/c1-2-6-21(23(29)25-15-19-9-5-14-32-19)27(18-7-3-4-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h5,9-14,18,21,26H,2-4,6-8,15-16H2,1H3,(H,25,29)
InChIKeyTYKDAURZXZQOJA-UHFFFAOYSA-N
XLogP2.95
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.95
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-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
2-(2-fluoro-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3206939
2-[(4-cyclohexylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254541
2-(N-[2-[(4-chlorophenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3207131
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207073
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207077
N-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 3206990
2-[[2-(benzenesulfonamido)acetyl]-(thiophen-2-ylmethyl)amino]-N-(furan-2-ylmethyl)butanamide
CID 3206824
2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
CID 3207116
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 3207001
2-[(4-fluorophenyl)sulfonylamino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 166191856

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide (CID 3206997) is 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide is CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is TYKDAURZXZQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O5S/c1-2-6-21(23(29)25-15-19-9-5-14-32-19)27(18-7-3-4-8-18)22(28)16-26-33(30,31)20-12-10-17(24)11-13-20/h5,9-14,18,21,26H,2-4,6-8,15-16H2,1H3,(H,25,29).
What are the key properties of 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide?
2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 479.57 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 3206997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).