N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide

C12H12N2O3S — CID 134096944

IUPACN-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1=CSCCO1
InChIInChI=1S/C12H12N2O3S/c13-11(15)8-3-1-2-4-9(8)14-12(16)10-7-18-6-5-17-10/h1-4,7H,5-6H2,(H2,13,15)(H,14,16)
InChIKeyCVLYFKPNMULCBX-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.33
Rot. Bonds3

About N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide

N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 134096944) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID134096944
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1=CSCCO1
InChIInChI=1S/C12H12N2O3S/c13-11(15)8-3-1-2-4-9(8)14-12(16)10-7-18-6-5-17-10/h1-4,7H,5-6H2,(H2,13,15)(H,14,16)
InChIKeyCVLYFKPNMULCBX-UHFFFAOYSA-N
XLogP1.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955064
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955024
N-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 92505379
2-benzamidobenzamide
CID 702115
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(2-carbamoylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789320
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
2-[(2-carbamoylphenyl)carbamoyl]cyclohexene-1-carboxylate
CID 6985731
N-(2-acetylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 51072460
N-(2-carbamoylphenyl)-1-methylpyrrole-3-carboxamide
CID 110762752
N-(2-carbamoylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47008398
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 134096944) is N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide is NC(=O)c1ccccc1NC(=O)C1=CSCCO1.
What is the InChIKey of N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is CVLYFKPNMULCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-11(15)8-3-1-2-4-9(8)14-12(16)10-7-18-6-5-17-10/h1-4,7H,5-6H2,(H2,13,15)(H,14,16).
What are the key properties of N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 134096944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).