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

C15H16N2O3S — CID 20954848

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)C1=CSCCO1
InChIInChI=1S/C15H16N2O3S/c18-14(16-12-5-6-12)10-1-3-11(4-2-10)17-15(19)13-9-21-8-7-20-13/h1-4,9,12H,5-8H2,(H,16,18)(H,17,19)
InChIKeyBGMAUMZZSRWDDQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.12
Rot. Bonds4

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

N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 20954848) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID20954848
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)C1=CSCCO1
InChIInChI=1S/C15H16N2O3S/c18-14(16-12-5-6-12)10-1-3-11(4-2-10)17-15(19)13-9-21-8-7-20-13/h1-4,9,12H,5-8H2,(H,16,18)(H,17,19)
InChIKeyBGMAUMZZSRWDDQ-UHFFFAOYSA-N
XLogP2.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.12
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-[(4-chlorophenyl)carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 46343949
N-[3-(cyclooctylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954950
N-[4-[(4-ethylphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954918
N-[4-(thiophen-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954858
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-[4-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methylcarbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954919
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 20954848) is N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is O=C(Nc1ccc(C(=O)NC2CC2)cc1)C1=CSCCO1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is BGMAUMZZSRWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-14(16-12-5-6-12)10-1-3-11(4-2-10)17-15(19)13-9-21-8-7-20-13/h1-4,9,12H,5-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 20954848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).