N-(4-propan-2-ylphenyl)thiolane-2-carboxamide

C14H19NOS — CID 110858135

IUPACN-(4-propan-2-ylphenyl)thiolane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCS2)cc1
InChIInChI=1S/C14H19NOS/c1-10(2)11-5-7-12(8-6-11)15-14(16)13-4-3-9-17-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyQVLZHHADEVDNBH-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.64
Rot. Bonds3

About N-(4-propan-2-ylphenyl)thiolane-2-carboxamide

N-(4-propan-2-ylphenyl)thiolane-2-carboxamide (PubChem CID 110858135) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)thiolane-2-carboxamide
PubChem CID110858135
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-(4-propan-2-ylphenyl)thiolane-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCCS2)cc1
InChIInChI=1S/C14H19NOS/c1-10(2)11-5-7-12(8-6-11)15-14(16)13-4-3-9-17-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyQVLZHHADEVDNBH-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)thiolane-2-carboxamide
CID 110860067
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-(4-sulfamoylphenyl)thiane-2-carboxamide
CID 80595906
3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3561187
N-[2-(4-chlorophenyl)-2-hydroxyethyl]thiolane-2-carboxamide
CID 111477066
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754545
N-(6-chloro-5-methyl-3-pyridinyl)thiolane-2-carboxamide
CID 103745323
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)thiolane-2-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)thiolane-2-carboxamide (CID 110858135) is N-(4-propan-2-ylphenyl)thiolane-2-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)thiolane-2-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)thiolane-2-carboxamide is CC(C)c1ccc(NC(=O)C2CCCS2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)thiolane-2-carboxamide?
The InChIKey is QVLZHHADEVDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10(2)11-5-7-12(8-6-11)15-14(16)13-4-3-9-17-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of N-(4-propan-2-ylphenyl)thiolane-2-carboxamide?
N-(4-propan-2-ylphenyl)thiolane-2-carboxamide has a molecular weight of 249.38 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)thiolane-2-carboxamide is sourced from PubChem (CID 110858135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).