N-(3-carbamothioylphenyl)-2-pentoxypropanamide

C15H22N2O2S — CID 43275158

IUPACN-(3-carbamothioylphenyl)-2-pentoxypropanamide
SMILESCCCCCOC(C)C(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-3-4-5-9-19-11(2)15(18)17-13-8-6-7-12(10-13)14(16)20/h6-8,10-11H,3-5,9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeySDSKCIMQYBPQHA-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.85
Rot. Bonds8

About N-(3-carbamothioylphenyl)-2-pentoxypropanamide

N-(3-carbamothioylphenyl)-2-pentoxypropanamide (PubChem CID 43275158) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-pentoxypropanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-pentoxypropanamide
PubChem CID43275158
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-carbamothioylphenyl)-2-pentoxypropanamide
SMILESCCCCCOC(C)C(=O)Nc1cccc(C(N)=S)c1
InChIInChI=1S/C15H22N2O2S/c1-3-4-5-9-19-11(2)15(18)17-13-8-6-7-12(10-13)14(16)20/h6-8,10-11H,3-5,9H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeySDSKCIMQYBPQHA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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)-2-propan-2-yloxyacetamide
CID 24707621
2-[3-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119351585
N-(3-carbamothioylphenyl)-4-propoxybutanamide
CID 43248092
2-butoxy-N-(2-carbamothioylphenyl)propanamide
CID 43267700
butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790319
N-(3-carbamothioylphenyl)-3-methoxypropanamide
CID 24705451
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
N-(3-carbamothioylphenyl)-3-(3-methylbutoxy)propanamide
CID 24709667
N-(3-carbamothioylphenyl)-2-[propan-2-yl(propyl)amino]acetamide
CID 43269592
N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-pentoxypropanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-pentoxypropanamide (CID 43275158) is N-(3-carbamothioylphenyl)-2-pentoxypropanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-pentoxypropanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-pentoxypropanamide is CCCCCOC(C)C(=O)Nc1cccc(C(N)=S)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-pentoxypropanamide?
The InChIKey is SDSKCIMQYBPQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-4-5-9-19-11(2)15(18)17-13-8-6-7-12(10-13)14(16)20/h6-8,10-11H,3-5,9H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of N-(3-carbamothioylphenyl)-2-pentoxypropanamide?
N-(3-carbamothioylphenyl)-2-pentoxypropanamide has a molecular weight of 294.42 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-pentoxypropanamide is sourced from PubChem (CID 43275158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).