2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide

C24H30FN3O5S — CID 3206859

IUPAC2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H30FN3O5S/c1-17(2)23(24(30)26-15-20-7-6-14-33-20)28(19-12-10-18(25)11-13-19)22(29)16-27-34(31,32)21-8-4-3-5-9-21/h3-5,8-13,17,20,23,27H,6-7,14-16H2,1-2H3,(H,26,30)
InChIKeyJTOHHTAMQJVPSY-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.46
Rot. Bonds10

About 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide

2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3206859) has the molecular formula C24H30FN3O5S and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3206859
Molecular FormulaC24H30FN3O5S
Molecular Weight491.59 g/mol
Exact Mass491.19
IUPAC Name2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
SMILESCC(C)C(C(=O)NCC1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C24H30FN3O5S/c1-17(2)23(24(30)26-15-20-7-6-14-33-20)28(19-12-10-18(25)11-13-19)22(29)16-27-34(31,32)21-8-4-3-5-9-21/h3-5,8-13,17,20,23,27H,6-7,14-16H2,1-2H3,(H,26,30)
InChIKeyJTOHHTAMQJVPSY-UHFFFAOYSA-N
XLogP2.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide (CID 3206859) is 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide is CC(C)C(C(=O)NCC1CCCO1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is JTOHHTAMQJVPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O5S/c1-17(2)23(24(30)26-15-20-7-6-14-33-20)28(19-12-10-18(25)11-13-19)22(29)16-27-34(31,32)21-8-4-3-5-9-21/h3-5,8-13,17,20,23,27H,6-7,14-16H2,1-2H3,(H,26,30).
What are the key properties of 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide?
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 491.59 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-3-methyl-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3206859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).