2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide

C15H22N2O2S — CID 62872444

IUPAC2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide
SMILESCCC(CC)(C(=O)Nc1ccc(OC)cc1C)C(N)=S
InChIInChI=1S/C15H22N2O2S/c1-5-15(6-2,13(16)20)14(18)17-12-8-7-11(19-4)9-10(12)3/h7-9H,5-6H2,1-4H3,(H2,16,20)(H,17,18)
InChIKeyYCGPIEOEKYEKIW-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.03
Rot. Bonds6

About 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide

2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide (PubChem CID 62872444) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide
PubChem CID62872444
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide
SMILESCCC(CC)(C(=O)Nc1ccc(OC)cc1C)C(N)=S
InChIInChI=1S/C15H22N2O2S/c1-5-15(6-2,13(16)20)14(18)17-12-8-7-11(19-4)9-10(12)3/h7-9H,5-6H2,1-4H3,(H2,16,20)(H,17,18)
InChIKeyYCGPIEOEKYEKIW-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.03
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

3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
2-carbamothioyl-N-(2-chloro-5-methoxyphenyl)-2-methylbutanamide
CID 114292151
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-amino-N-(4-methoxy-2-methylphenyl)-2-phenylpropanamide
CID 62870992
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
1-(4-methoxy-2-methylphenyl)-2-propylguanidine
CID 62871923
N-(4-methoxy-2-methylphenyl)-2,2,3-triphenylpropanamide
CID 100781820
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
ethyl 2-(4-methoxy-2-methylanilino)pentanoate
CID 78964712

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide?
The IUPAC name of 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide (CID 62872444) is 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide?
The canonical SMILES for 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide is CCC(CC)(C(=O)Nc1ccc(OC)cc1C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide?
The InChIKey is YCGPIEOEKYEKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-15(6-2,13(16)20)14(18)17-12-8-7-11(19-4)9-10(12)3/h7-9H,5-6H2,1-4H3,(H2,16,20)(H,17,18).
What are the key properties of 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide?
2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide has a molecular weight of 294.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-ethyl-N-(4-methoxy-2-methylphenyl)butanamide is sourced from PubChem (CID 62872444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).