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

C18H15ClN2O3S — CID 46343949

IUPACN-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)C1=CSCCO1
InChIInChI=1S/C18H15ClN2O3S/c19-13-3-7-15(8-4-13)20-17(22)12-1-5-14(6-2-12)21-18(23)16-11-25-10-9-24-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23)
InChIKeyXTIKHBKHIMWCNV-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.14
Rot. Bonds4

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

N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 46343949) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID46343949
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)C1=CSCCO1
InChIInChI=1S/C18H15ClN2O3S/c19-13-3-7-15(8-4-13)20-17(22)12-1-5-14(6-2-12)21-18(23)16-11-25-10-9-24-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23)
InChIKeyXTIKHBKHIMWCNV-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954868
N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954848
N-[4-[(4-ethylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954918
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954883
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 45106361
N-[4-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954919
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 46343949) is N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)C1=CSCCO1.
What is the InChIKey of N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is XTIKHBKHIMWCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c19-13-3-7-15(8-4-13)20-17(22)12-1-5-14(6-2-12)21-18(23)16-11-25-10-9-24-16/h1-8,11H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 46343949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).