N-(3-carbamothioylphenyl)-3-methoxypropanamide

C11H14N2O2S — CID 24705451

IUPACN-(3-carbamothioylphenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C11H14N2O2S/c1-15-6-5-10(14)13-9-4-2-3-8(7-9)11(12)16/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyGSILZOZRCLXCII-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.30
Rot. Bonds5

About N-(3-carbamothioylphenyl)-3-methoxypropanamide

N-(3-carbamothioylphenyl)-3-methoxypropanamide (PubChem CID 24705451) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3-methoxypropanamide
PubChem CID24705451
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(3-carbamothioylphenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C11H14N2O2S/c1-15-6-5-10(14)13-9-4-2-3-8(7-9)11(12)16/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyGSILZOZRCLXCII-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.30
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-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
CID 24709667
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
N-(3-carbamothioylphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448387
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-carbamothioylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 39158622
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
N-(3-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24692503
N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
N-(3-carbamothioylphenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533707
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3-methoxypropanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3-methoxypropanamide (CID 24705451) is N-(3-carbamothioylphenyl)-3-methoxypropanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3-methoxypropanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3-methoxypropanamide is COCCC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3-methoxypropanamide?
The InChIKey is GSILZOZRCLXCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-15-6-5-10(14)13-9-4-2-3-8(7-9)11(12)16/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of N-(3-carbamothioylphenyl)-3-methoxypropanamide?
N-(3-carbamothioylphenyl)-3-methoxypropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 24705451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).