N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide

C20H24N2O4S — CID 23648442

IUPACN-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O
InChIInChI=1S/C20H24N2O4S/c1-12(2)9-15(19(24)21-14-7-8-26-11-16(14)23)22-20(25)18-10-13-5-3-4-6-17(13)27-18/h3-6,10,12,14-15H,7-9,11H2,1-2H3,(H,21,24)(H,22,25)/t14?,15-/m0/s1
InChIKeySOSDZLZCZHXALY-LOACHALJSA-N
MW388.49 g/mol
LogP2.52
Rot. Bonds6

About N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide

N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 23648442) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID23648442
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O
InChIInChI=1S/C20H24N2O4S/c1-12(2)9-15(19(24)21-14-7-8-26-11-16(14)23)22-20(25)18-10-13-5-3-4-6-17(13)27-18/h3-6,10,12,14-15H,7-9,11H2,1-2H3,(H,21,24)(H,22,25)/t14?,15-/m0/s1
InChIKeySOSDZLZCZHXALY-LOACHALJSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide (CID 23648442) is N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide is CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is SOSDZLZCZHXALY-LOACHALJSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-12(2)9-15(19(24)21-14-7-8-26-11-16(14)23)22-20(25)18-10-13-5-3-4-6-17(13)27-18/h3-6,10,12,14-15H,7-9,11H2,1-2H3,(H,21,24)(H,22,25)/t14?,15-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-[(3-oxooxan-4-yl)amino]pentan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 23648442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).