2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide

C15H22N2OS — CID 63590173

IUPAC2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide
SMILESCCC(C)C(C)NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2OS/c1-4-10(2)11(3)17-14(18)9-12-5-7-13(8-6-12)15(16)19/h5-8,10-11H,4,9H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyLYYDLZSWYZUUGF-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.41
Rot. Bonds6

About 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide

2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide (PubChem CID 63590173) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide
PubChem CID63590173
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide
SMILESCCC(C)C(C)NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H22N2OS/c1-4-10(2)11(3)17-14(18)9-12-5-7-13(8-6-12)15(16)19/h5-8,10-11H,4,9H2,1-3H3,(H2,16,19)(H,17,18)
InChIKeyLYYDLZSWYZUUGF-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
2-(4-carbamothioylphenyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64643986
2-(4-carbamothioylphenyl)-N-(1-phenylethyl)acetamide
CID 63589427
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874
2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63591412
2-[4-(3-methylpentan-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79186045
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
2-(4-carbamothioylphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551988
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489863

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide (CID 63590173) is 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide is CCC(C)C(C)NC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide?
The InChIKey is LYYDLZSWYZUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-4-10(2)11(3)17-14(18)9-12-5-7-13(8-6-12)15(16)19/h5-8,10-11H,4,9H2,1-3H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide?
2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide is sourced from PubChem (CID 63590173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).