N-(3-carbamothioylphenyl)-4-propoxybutanamide

C14H20N2O2S — CID 43248092

IUPACN-(3-carbamothioylphenyl)-4-propoxybutanamide
SMILESCCCOCCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N2O2S/c1-2-8-18-9-4-7-13(17)16-12-6-3-5-11(10-12)14(15)19/h3,5-6,10H,2,4,7-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyZDPBWJPOKDIXSO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.47
Rot. Bonds8

About N-(3-carbamothioylphenyl)-4-propoxybutanamide

N-(3-carbamothioylphenyl)-4-propoxybutanamide (PubChem CID 43248092) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-4-propoxybutanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-4-propoxybutanamide
PubChem CID43248092
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-carbamothioylphenyl)-4-propoxybutanamide
SMILESCCCOCCCC(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C14H20N2O2S/c1-2-8-18-9-4-7-13(17)16-12-6-3-5-11(10-12)14(15)19/h3,5-6,10H,2,4,7-9H2,1H3,(H2,15,19)(H,16,17)
InChIKeyZDPBWJPOKDIXSO-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.47
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'}

Analyze N-(3-carbamothioylphenyl)-4-propoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
CID 24709667
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
N-(3-carbamothioylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265794
3-(heptanoylamino)benzamide
CID 54789184
methyl 3-(decanoylamino)benzoate
CID 142485980
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-carbamothioylphenyl)-2-pentoxypropanamide
CID 43275158
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-carbamothioylphenyl)-2-propan-2-yloxyacetamide
CID 24707621
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-4-propoxybutanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-4-propoxybutanamide (CID 43248092) is N-(3-carbamothioylphenyl)-4-propoxybutanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-4-propoxybutanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-4-propoxybutanamide is CCCOCCCC(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-4-propoxybutanamide?
The InChIKey is ZDPBWJPOKDIXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-8-18-9-4-7-13(17)16-12-6-3-5-11(10-12)14(15)19/h3,5-6,10H,2,4,7-9H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of N-(3-carbamothioylphenyl)-4-propoxybutanamide?
N-(3-carbamothioylphenyl)-4-propoxybutanamide has a molecular weight of 280.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-4-propoxybutanamide is sourced from PubChem (CID 43248092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).