N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide

C13H14N2O5S — CID 134002341

IUPACN-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C13H14N2O5S/c1-9(16)14-6-7-15-21(18,19)11-3-4-12-10(8-11)2-5-13(17)20-12/h2-5,8,15H,6-7H2,1H3,(H,14,16)
InChIKeyOPFSOGRGNATAQS-UHFFFAOYSA-N
MW310.33 g/mol
LogP0.21
Rot. Bonds5

About N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide

N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide (PubChem CID 134002341) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
PubChem CID134002341
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C13H14N2O5S/c1-9(16)14-6-7-15-21(18,19)11-3-4-12-10(8-11)2-5-13(17)20-12/h2-5,8,15H,6-7H2,1H3,(H,14,16)
InChIKeyOPFSOGRGNATAQS-UHFFFAOYSA-N
XLogP0.21
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide (CID 134002341) is N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is OPFSOGRGNATAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-9(16)14-6-7-15-21(18,19)11-3-4-12-10(8-11)2-5-13(17)20-12/h2-5,8,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide?
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 310.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 134002341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).