N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

C19H25N3O4S — CID 20955162

IUPACN-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)cc1NC(=O)C1=CSCCO1
InChIInChI=1S/C19H25N3O4S/c1-14-2-3-15(18(23)20-4-5-22-6-8-25-9-7-22)12-16(14)21-19(24)17-13-27-11-10-26-17/h2-3,12-13H,4-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyMLTVRIYLSLXIPR-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.60
Rot. Bonds6

About N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 20955162) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID20955162
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)cc1NC(=O)C1=CSCCO1
InChIInChI=1S/C19H25N3O4S/c1-14-2-3-15(18(23)20-4-5-22-6-8-25-9-7-22)12-16(14)21-19(24)17-13-27-11-10-26-17/h2-3,12-13H,4-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyMLTVRIYLSLXIPR-UHFFFAOYSA-N
XLogP1.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954883
N-[5-(azepane-1-carbonyl)-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955094
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
2-N-(2,5-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083747
N-[2-methyl-5-(4-morpholin-4-ylbutylcarbamoyl)phenyl]furan-2-carboxamide
CID 55742434
N-[2-methyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955111
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
N-(2-morpholin-4-ylethyl)spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-carboxamide
CID 100605642
N-[5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20955096

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 20955162) is N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is Cc1ccc(C(=O)NCCN2CCOCC2)cc1NC(=O)C1=CSCCO1.
What is the InChIKey of N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is MLTVRIYLSLXIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-2-3-15(18(23)20-4-5-22-6-8-25-9-7-22)12-16(14)21-19(24)17-13-27-11-10-26-17/h2-3,12-13H,4-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 20955162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).