N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide

C13H18N2O2S — CID 24706022

IUPACN-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-9(2)17-7-6-12(16)15-11-5-3-4-10(8-11)13(14)18/h3-5,8-9H,6-7H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyZSKFVVVUPAOHNN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.07
Rot. Bonds6

About N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide

N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide (PubChem CID 24706022) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
PubChem CID24706022
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
SMILESCC(C)OCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C13H18N2O2S/c1-9(2)17-7-6-12(16)15-11-5-3-4-10(8-11)13(14)18/h3-5,8-9H,6-7H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyZSKFVVVUPAOHNN-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.07
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)-2-propan-2-yloxyacetamide
CID 24707621
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
CID 24709667
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
N-(3-carbamothioylphenyl)-2-pentoxypropanamide
CID 43275158
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
N-(3-carbamothioylphenyl)-3-pyrazol-1-ylpropanamide
CID 24703120
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269592

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide (CID 24706022) is N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide is CC(C)OCCC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide?
The InChIKey is ZSKFVVVUPAOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9(2)17-7-6-12(16)15-11-5-3-4-10(8-11)13(14)18/h3-5,8-9H,6-7H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide?
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide has a molecular weight of 266.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 24706022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).