2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide

C24H20N2O5S — CID 30713520

IUPAC2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C24H20N2O5S/c1-16(17-7-3-2-4-8-17)25-24(28)20-9-5-6-10-21(20)26-32(29,30)19-12-13-22-18(15-19)11-14-23(27)31-22/h2-16,26H,1H3,(H,25,28)/t16-/m0/s1
InChIKeyPHUVGLLRKLXJMZ-INIZCTEOSA-N
MW448.50 g/mol
LogP4.08
Rot. Bonds6

About 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide

2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 30713520) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID30713520
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C24H20N2O5S/c1-16(17-7-3-2-4-8-17)25-24(28)20-9-5-6-10-21(20)26-32(29,30)19-12-13-22-18(15-19)11-14-23(27)31-22/h2-16,26H,1H3,(H,25,28)/t16-/m0/s1
InChIKeyPHUVGLLRKLXJMZ-INIZCTEOSA-N
XLogP4.08
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide
CID 30713734
2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 42917034
2-[(2-oxochromen-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 43053206
2-[(3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 2968335
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 43012060
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
2-(benzenesulfonamido)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100620253
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
2-[(4-fluorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)benzamide
CID 24639279
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide (CID 30713520) is 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1.
What is the InChIKey of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is PHUVGLLRKLXJMZ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-16(17-7-3-2-4-8-17)25-24(28)20-9-5-6-10-21(20)26-32(29,30)19-12-13-22-18(15-19)11-14-23(27)31-22/h2-16,26H,1H3,(H,25,28)/t16-/m0/s1.
What are the key properties of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide?
2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 448.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 30713520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).