N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

C19H17FN2O3S — CID 20955064

IUPACN-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1F)C1=CSCCO1
InChIInChI=1S/C19H17FN2O3S/c20-15-7-3-1-5-13(15)11-21-18(23)14-6-2-4-8-16(14)22-19(24)17-12-26-10-9-25-17/h1-8,12H,9-11H2,(H,21,23)(H,22,24)
InChIKeyFMJHOSWBNYCRQE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.30
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 20955064) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID20955064
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC NameN-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccccc1F)C1=CSCCO1
InChIInChI=1S/C19H17FN2O3S/c20-15-7-3-1-5-13(15)11-21-18(23)14-6-2-4-8-16(14)22-19(24)17-12-26-10-9-25-17/h1-8,12H,9-11H2,(H,21,23)(H,22,24)
InChIKeyFMJHOSWBNYCRQE-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955024
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoate
CID 7407568
N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336844
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 92505379
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
2-benzamido-N-[(2-methylphenyl)methyl]benzamide
CID 9488926

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 20955064) is N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccccc1F)C1=CSCCO1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is FMJHOSWBNYCRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c20-15-7-3-1-5-13(15)11-21-18(23)14-6-2-4-8-16(14)22-19(24)17-12-26-10-9-25-17/h1-8,12H,9-11H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 20955064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).