2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

C15H20N2O2S — CID 63590874

IUPAC2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(N)=S)cc1)C1CCCO1
InChIInChI=1S/C15H20N2O2S/c1-10(13-3-2-8-19-13)17-14(18)9-11-4-6-12(7-5-11)15(16)20/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyBHFUHTLHHSJNQN-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 63590874) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID63590874
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(N)=S)cc1)C1CCCO1
InChIInChI=1S/C15H20N2O2S/c1-10(13-3-2-8-19-13)17-14(18)9-11-4-6-12(7-5-11)15(16)20/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyBHFUHTLHHSJNQN-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 531986
4-ethyl-N-{3-methyl-1-oxo-1-[(tetrahydrofuran-2-ylmethyl)amino]butan-2-yl}benzamide
CID 2975014
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
N-[1-(4-butan-2-ylphenyl)propyl]oxolane-2-carboxamide
CID 6464301
2-acetamido-N-benzyl-2-(oxolan-2-yl)acetamide
CID 14978595
Benzamide, N-tetrahydrofurfuryl-4-methyl-
CID 531825
2-methyl-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 51075738
N-(oxolan-2-ylmethyl)-2-phenylbutanamide
CID 2890068
Benzamide, N-tetrahydrofurfuryl-4-ethyl-
CID 531872
2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide
CID 965692
2-(4-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 6465573
2-fluoro-N-[1-(tetrahydrofuran-2-yl)ethyl]benzamide
CID 2971183

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 63590874) is 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)Cc1ccc(C(N)=S)cc1)C1CCCO1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is BHFUHTLHHSJNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(13-3-2-8-19-13)17-14(18)9-11-4-6-12(7-5-11)15(16)20/h4-7,10,13H,2-3,8-9H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 292.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 63590874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).