2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide

C25H29N3O6S — CID 652019

IUPAC2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C25H29N3O6S/c1-3-10-22(25(30)26-17-19-11-9-16-34-19)28(21-14-7-8-15-23(21)33-2)24(29)18-27-35(31,32)20-12-5-4-6-13-20/h4-9,11-16,22,27H,3,10,17-18H2,1-2H3,(H,26,30)
InChIKeyOTHDYAZZMMEYNJ-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.08
Rot. Bonds12

About 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide

2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide (PubChem CID 652019) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide
PubChem CID652019
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC Name2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1OC
InChIInChI=1S/C25H29N3O6S/c1-3-10-22(25(30)26-17-19-11-9-16-34-19)28(21-14-7-8-15-23(21)33-2)24(29)18-27-35(31,32)20-12-5-4-6-13-20/h4-9,11-16,22,27H,3,10,17-18H2,1-2H3,(H,26,30)
InChIKeyOTHDYAZZMMEYNJ-UHFFFAOYSA-N
XLogP3.08
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide (CID 652019) is 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide is CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccccc1OC.
What is the InChIKey of 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is OTHDYAZZMMEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-3-10-22(25(30)26-17-19-11-9-16-34-19)28(21-14-7-8-15-23(21)33-2)24(29)18-27-35(31,32)20-12-5-4-6-13-20/h4-9,11-16,22,27H,3,10,17-18H2,1-2H3,(H,26,30).
What are the key properties of 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide?
2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 499.59 g/mol, XLogP of 3.08, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 652019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).