N-(4-acetamidophenyl)thiane-3-carboxamide

C14H18N2O2S — CID 110861474

IUPACN-(4-acetamidophenyl)thiane-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCSC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-10(17)15-12-4-6-13(7-5-12)16-14(18)11-3-2-8-19-9-11/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyCGKDRSJLBFUYSM-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.73
Rot. Bonds3

About N-(4-acetamidophenyl)thiane-3-carboxamide

N-(4-acetamidophenyl)thiane-3-carboxamide (PubChem CID 110861474) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)thiane-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)thiane-3-carboxamide
PubChem CID110861474
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(4-acetamidophenyl)thiane-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCSC2)cc1
InChIInChI=1S/C14H18N2O2S/c1-10(17)15-12-4-6-13(7-5-12)16-14(18)11-3-2-8-19-9-11/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyCGKDRSJLBFUYSM-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)thiane-3-carboxamide
CID 110863209
N-[4-(4-methylpiperazin-1-yl)phenyl]thiolane-3-carboxamide
CID 110862464
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
N-(4-bromo-3,5-dimethylphenyl)thiolane-3-carboxamide
CID 103582040
N-(3-chloro-4-methoxyphenyl)thiolane-3-carboxamide
CID 110859499
N-[4-(cyclooctanecarbonyl)phenyl]acetamide
CID 65018343
N-(4-bromo-3-chlorophenyl)thiolane-3-carboxamide
CID 103824576
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiolane-3-carboxamide
CID 77021466
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)thiane-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)thiane-3-carboxamide (CID 110861474) is N-(4-acetamidophenyl)thiane-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)thiane-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)thiane-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCSC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)thiane-3-carboxamide?
The InChIKey is CGKDRSJLBFUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10(17)15-12-4-6-13(7-5-12)16-14(18)11-3-2-8-19-9-11/h4-7,11H,2-3,8-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)thiane-3-carboxamide?
N-(4-acetamidophenyl)thiane-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)thiane-3-carboxamide is sourced from PubChem (CID 110861474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).