5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide

C19H23NO3S — CID 141101661

IUPAC5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide
SMILESCC1COC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)OC1
InChIInChI=1S/C19H23NO3S/c1-13(2)20(18(21)19-22-10-14(3)11-23-19)16-9-17(24-12-16)15-7-5-4-6-8-15/h4-9,12-14,19H,10-11H2,1-3H3
InChIKeyKDLJFBQCKLNZAN-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.17
Rot. Bonds4

About 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide

5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide (PubChem CID 141101661) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide
PubChem CID141101661
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide
SMILESCC1COC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)OC1
InChIInChI=1S/C19H23NO3S/c1-13(2)20(18(21)19-22-10-14(3)11-23-19)16-9-17(24-12-16)15-7-5-4-6-8-15/h4-9,12-14,19H,10-11H2,1-3H3
InChIKeyKDLJFBQCKLNZAN-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(2,4-difluorophenyl)methyl]-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide
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(2R,5S)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
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5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
CID 141101673
N-[3-(4-morpholin-4-ylthiophen-2-yl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide?
The IUPAC name of 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide (CID 141101661) is 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide is CC1COC(C(=O)N(c2csc(-c3ccccc3)c2)C(C)C)OC1.
What is the InChIKey of 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide?
The InChIKey is KDLJFBQCKLNZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13(2)20(18(21)19-22-10-14(3)11-23-19)16-9-17(24-12-16)15-7-5-4-6-8-15/h4-9,12-14,19H,10-11H2,1-3H3.
What are the key properties of 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide?
5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-phenylthiophen-3-yl)-N-propan-2-yl-1,3-dioxane-2-carboxamide is sourced from PubChem (CID 141101661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).