N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide

C18H17NO4S — CID 10450128

IUPACN-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide
SMILESCCCc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2=O
InChIInChI=1S/C18H17NO4S/c1-3-4-12-5-7-14-16(9-12)24(22,23)17-10-13(19-11(2)20)6-8-15(17)18(14)21/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyZVKJCGNVWKXVSH-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.97
Rot. Bonds3

About N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide

N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide (PubChem CID 10450128) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide.

Molecular Properties

Compound NameN-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide
PubChem CID10450128
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC NameN-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide
SMILESCCCc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2=O
InChIInChI=1S/C18H17NO4S/c1-3-4-12-5-7-14-16(9-12)24(22,23)17-10-13(19-11(2)20)6-8-15(17)18(14)21/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyZVKJCGNVWKXVSH-UHFFFAOYSA-N
XLogP2.97
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7586386
BW 616U76
CID 131145
N-(4-{2-[(4-methylphenyl)sulfonyl]acetyl}phenyl)acetamide
CID 975327
N-(4-Acetyl-phenyl)-4-benzenesulfonyl-benzamide
CID 1119052
N-(4-chlorophenyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 2335386
N-(2-methylbutan-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 2443473
N-(4-acetamidophenyl)-4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzamide
CID 2557752
N-(9,10,10-trioxothioxanthen-2-yl)acetamide
CID 10040515
N-(6-methyl-9,10,10-trioxothioxanthen-3-yl)acetamide
CID 10470959
N-(6-ethyl-9,10,10-trioxothioxanthen-3-yl)acetamide
CID 10471770
7-(dimethylamino)-N-methyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 10759875
3-(4-methyl-piperidin-1-yl)-10,10-dioxo-10H-10lambda*6*-thioxanthen-9-one
CID 24747248

Frequently Asked Questions

What is the IUPAC name of N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide?
The IUPAC name of N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide (CID 10450128) is N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide.
What is the SMILES notation for N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide?
The canonical SMILES for N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide is CCCc1ccc2c(c1)S(=O)(=O)c1cc(NC(C)=O)ccc1C2=O.
What is the InChIKey of N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide?
The InChIKey is ZVKJCGNVWKXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-3-4-12-5-7-14-16(9-12)24(22,23)17-10-13(19-11(2)20)6-8-15(17)18(14)21/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide?
N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10,10-trioxo-6-propylthioxanthen-3-yl)acetamide is sourced from PubChem (CID 10450128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).