[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate

C17H17NO5S2 — CID 11559930

IUPAC[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate
SMILESCC(=O)OCC1(C)C=Cc2cc(NS(=O)(=O)c3cccs3)ccc2O1
InChIInChI=1S/C17H17NO5S2/c1-12(19)22-11-17(2)8-7-13-10-14(5-6-15(13)23-17)18-25(20,21)16-4-3-9-24-16/h3-10,18H,11H2,1-2H3
InChIKeyYWKXMMNLEHHBAU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.28
Rot. Bonds5

About [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate

[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate (PubChem CID 11559930) has the molecular formula C17H17NO5S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate.

Molecular Properties

Compound Name[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate
PubChem CID11559930
Molecular FormulaC17H17NO5S2
Molecular Weight379.46 g/mol
Exact Mass379.05
IUPAC Name[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate
SMILESCC(=O)OCC1(C)C=Cc2cc(NS(=O)(=O)c3cccs3)ccc2O1
InChIInChI=1S/C17H17NO5S2/c1-12(19)22-11-17(2)8-7-13-10-14(5-6-15(13)23-17)18-25(20,21)16-4-3-9-24-16/h3-10,18H,11H2,1-2H3
InChIKeyYWKXMMNLEHHBAU-UHFFFAOYSA-N
XLogP3.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[(4-methoxybenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11539216
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11502583
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[3-(hydrazinecarbonyl)-5-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 2386135
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
CID 5304520
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2642115

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate?
The IUPAC name of [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate (CID 11559930) is [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate.
What is the SMILES notation for [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate?
The canonical SMILES for [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate is CC(=O)OCC1(C)C=Cc2cc(NS(=O)(=O)c3cccs3)ccc2O1.
What is the InChIKey of [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate?
The InChIKey is YWKXMMNLEHHBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S2/c1-12(19)22-11-17(2)8-7-13-10-14(5-6-15(13)23-17)18-25(20,21)16-4-3-9-24-16/h3-10,18H,11H2,1-2H3.
What are the key properties of [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate?
[2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate has a molecular weight of 379.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(thiophen-2-ylsulfonylamino)chromen-2-yl]methyl acetate is sourced from PubChem (CID 11559930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).