2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide

C25H29N3O6S — CID 655807

IUPAC2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCOc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C25H29N3O6S/c1-18(2)24(25(30)26-16-19-10-9-15-34-19)28(21-13-7-8-14-22(21)33-3)23(29)17-27-35(31,32)20-11-5-4-6-12-20/h4-15,18,24,27H,16-17H2,1-3H3,(H,26,30)
InChIKeyKGXFBVRBCDGFHV-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.94
Rot. Bonds11

About 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide

2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide (PubChem CID 655807) 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)-3-methylbutanamide.

Molecular Properties

Compound Name2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
PubChem CID655807
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC Name2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCOc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCc1ccco1)C(C)C
InChIInChI=1S/C25H29N3O6S/c1-18(2)24(25(30)26-16-19-10-9-15-34-19)28(21-13-7-8-14-22(21)33-3)23(29)17-27-35(31,32)20-11-5-4-6-12-20/h4-15,18,24,27H,16-17H2,1-3H3,(H,26,30)
InChIKeyKGXFBVRBCDGFHV-UHFFFAOYSA-N
XLogP2.94
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.94
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)-3-methylbutanamide?
The IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide (CID 655807) is 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide is COc1ccccc1N(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCc1ccco1)C(C)C.
What is the InChIKey of 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is KGXFBVRBCDGFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-18(2)24(25(30)26-16-19-10-9-15-34-19)28(21-13-7-8-14-22(21)33-3)23(29)17-27-35(31,32)20-11-5-4-6-12-20/h4-15,18,24,27H,16-17H2,1-3H3,(H,26,30).
What are the key properties of 2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide?
2-(N-[2-(benzenesulfonamido)acetyl]-2-methoxyanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 499.59 g/mol, XLogP of 2.94, 11 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)-3-methylbutanamide is sourced from PubChem (CID 655807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).