N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide

C23H26N4O6S — CID 11799129

IUPACN-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C23H26N4O6S/c1-15(2)11-18(27-23(30)20-12-16-7-3-4-8-19(16)33-20)22(29)25-13-17(28)14-26-34(31,32)21-9-5-6-10-24-21/h3-10,12,15,18,26H,11,13-14H2,1-2H3,(H,25,29)(H,27,30)/t18-/m0/s1
InChIKeyCJAWLAGZXPEOEW-SFHVURJKSA-N
MW486.55 g/mol
LogP1.64
Rot. Bonds11

About N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 11799129) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID11799129
Molecular FormulaC23H26N4O6S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1
InChIInChI=1S/C23H26N4O6S/c1-15(2)11-18(27-23(30)20-12-16-7-3-4-8-19(16)33-20)22(29)25-13-17(28)14-26-34(31,32)21-9-5-6-10-24-21/h3-10,12,15,18,26H,11,13-14H2,1-2H3,(H,25,29)(H,27,30)/t18-/m0/s1
InChIKeyCJAWLAGZXPEOEW-SFHVURJKSA-N
XLogP1.64
TPSA147.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide (CID 11799129) is N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide is CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is CJAWLAGZXPEOEW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-15(2)11-18(27-23(30)20-12-16-7-3-4-8-19(16)33-20)22(29)25-13-17(28)14-26-34(31,32)21-9-5-6-10-24-21/h3-10,12,15,18,26H,11,13-14H2,1-2H3,(H,25,29)(H,27,30)/t18-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 1.64, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-(pyridin-2-ylsulfonylamino)propyl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11799129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).