N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide

C19H19NO4S — CID 9344377

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO4S/c1-20(13-10-11-25(22,23)12-13)19(21)18-14-6-2-4-8-16(14)24-17-9-5-3-7-15(17)18/h2-9,13,18H,10-12H2,1H3/t13-/m0/s1
InChIKeyKXZPKMNGFMEXJZ-ZDUSSCGKSA-N
MW357.43 g/mol
LogP2.57
Rot. Bonds2

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 9344377) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide
PubChem CID9344377
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO4S/c1-20(13-10-11-25(22,23)12-13)19(21)18-14-6-2-4-8-16(14)24-17-9-5-3-7-15(17)18/h2-9,13,18H,10-12H2,1H3/t13-/m0/s1
InChIKeyKXZPKMNGFMEXJZ-ZDUSSCGKSA-N
XLogP2.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43053951
(2S,3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93275715
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356032
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-3,4-dihydrochromene-4-carboxamide
CID 167987943
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
(E)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 51238375
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
2-N-benzyl-1-N-(1,1-dioxothiolan-3-yl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109134992
1-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138291

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide (CID 9344377) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide is CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is KXZPKMNGFMEXJZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-20(13-10-11-25(22,23)12-13)19(21)18-14-6-2-4-8-16(14)24-17-9-5-3-7-15(17)18/h2-9,13,18H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 9344377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).