N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide

C15H22N2O2S — CID 24709667

IUPACN-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
SMILESCC(C)CCOCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-11(2)6-8-19-9-7-14(18)17-13-5-3-4-12(10-13)15(16)20/h3-5,10-11H,6-9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyZEWURSHWGAUGQY-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.71
Rot. Bonds8

About N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide

N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide (PubChem CID 24709667) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
PubChem CID24709667
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
SMILESCC(C)CCOCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-11(2)6-8-19-9-7-14(18)17-13-5-3-4-12(10-13)15(16)20/h3-5,10-11H,6-9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyZEWURSHWGAUGQY-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
2-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693
N-(3-carbamothioylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 39158644
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446
methyl 3-[(5-amino-4-methylpentanoyl)amino]benzoate
CID 82012045
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide (CID 24709667) is N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide is CC(C)CCOCCC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide?
The InChIKey is ZEWURSHWGAUGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(2)6-8-19-9-7-14(18)17-13-5-3-4-12(10-13)15(16)20/h3-5,10-11H,6-9H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide?
N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide has a molecular weight of 294.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide is sourced from PubChem (CID 24709667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).