2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide

C20H25N3O5S — CID 3389812

IUPAC2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H25N3O5S/c24-19(22-16-7-4-5-8-16)15-23(14-17-9-6-12-28-17)20(25)13-21-29(26,27)18-10-2-1-3-11-18/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2,(H,22,24)
InChIKeyLBEJVYPICXMEPO-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.65
Rot. Bonds9

About 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide

2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3389812) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3389812
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H25N3O5S/c24-19(22-16-7-4-5-8-16)15-23(14-17-9-6-12-28-17)20(25)13-21-29(26,27)18-10-2-1-3-11-18/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2,(H,22,24)
InChIKeyLBEJVYPICXMEPO-UHFFFAOYSA-N
XLogP1.65
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
N-cyclopentyl-2-(furan-2-yl)acetamide
CID 110690587
N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 3221380
2-(cyclohexylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42771796
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 3207100
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
N-cyclopentyl-2-(furan-2-ylmethylamino)acetamide
CID 28586516
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 654223

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide (CID 3389812) is 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide is O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCC1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LBEJVYPICXMEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c24-19(22-16-7-4-5-8-16)15-23(14-17-9-6-12-28-17)20(25)13-21-29(26,27)18-10-2-1-3-11-18/h1-3,6,9-12,16,21H,4-5,7-8,13-15H2,(H,22,24).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide?
2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 419.50 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3389812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).