N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide

C19H19NO6S2 — CID 55449027

IUPACN-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCc1cc(=O)oc2cc(OCC(=O)c3ccc(CCNS(C)(=O)=O)s3)ccc12
InChIInChI=1S/C19H19NO6S2/c1-12-9-19(22)26-17-10-13(3-5-15(12)17)25-11-16(21)18-6-4-14(27-18)7-8-20-28(2,23)24/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKeyWCAZDKKGGDYEHA-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.52
Rot. Bonds8

About N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 55449027) has the molecular formula C19H19NO6S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID55449027
Molecular FormulaC19H19NO6S2
Molecular Weight421.50 g/mol
Exact Mass421.07
IUPAC NameN-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCc1cc(=O)oc2cc(OCC(=O)c3ccc(CCNS(C)(=O)=O)s3)ccc12
InChIInChI=1S/C19H19NO6S2/c1-12-9-19(22)26-17-10-13(3-5-15(12)17)25-11-16(21)18-6-4-14(27-18)7-8-20-28(2,23)24/h3-6,9-10,20H,7-8,11H2,1-2H3
InChIKeyWCAZDKKGGDYEHA-UHFFFAOYSA-N
XLogP2.52
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55450165
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 26971328
7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
6-chloro-4-methyl-7-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]chromen-2-one
CID 8505671
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 78788494

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide (CID 55449027) is N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide is Cc1cc(=O)oc2cc(OCC(=O)c3ccc(CCNS(C)(=O)=O)s3)ccc12.
What is the InChIKey of N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is WCAZDKKGGDYEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S2/c1-12-9-19(22)26-17-10-13(3-5-15(12)17)25-11-16(21)18-6-4-14(27-18)7-8-20-28(2,23)24/h3-6,9-10,20H,7-8,11H2,1-2H3.
What are the key properties of N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 421.50 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 55449027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).