N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide

C19H18N2O4S — CID 24679427

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H18N2O4S/c1-21(15-9-10-26(23,24)12-15)19(22)14-7-8-17-16(11-14)18(25-20-17)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyGSEPIGAZLRXGAM-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.75
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 24679427) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID24679427
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESCN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H18N2O4S/c1-21(15-9-10-26(23,24)12-15)19(22)14-7-8-17-16(11-14)18(25-20-17)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3
InChIKeyGSEPIGAZLRXGAM-UHFFFAOYSA-N
XLogP2.75
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24679501
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,2-dimethyl-1,3-benzoxazole-6-carboxamide
CID 110765232
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 7259618
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96576100
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 43411195
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide
CID 126425276
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109159530

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 24679427) is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide is CN(C(=O)c1ccc2noc(-c3ccccc3)c2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is GSEPIGAZLRXGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-21(15-9-10-26(23,24)12-15)19(22)14-7-8-17-16(11-14)18(25-20-17)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 24679427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).