N-[(2-methoxyphenyl)carbamothioyl]pentanamide

C13H18N2O2S — CID 19187716

IUPACN-[(2-methoxyphenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccccc1OC
InChIInChI=1S/C13H18N2O2S/c1-3-4-9-12(16)15-13(18)14-10-7-5-6-8-11(10)17-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,16,18)
InChIKeyBMHXWMRZAALYPK-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.70
Rot. Bonds5

About N-[(2-methoxyphenyl)carbamothioyl]pentanamide

N-[(2-methoxyphenyl)carbamothioyl]pentanamide (PubChem CID 19187716) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)carbamothioyl]pentanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)carbamothioyl]pentanamide
PubChem CID19187716
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(2-methoxyphenyl)carbamothioyl]pentanamide
SMILESCCCCC(=O)NC(=S)Nc1ccccc1OC
InChIInChI=1S/C13H18N2O2S/c1-3-4-9-12(16)15-13(18)14-10-7-5-6-8-11(10)17-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,16,18)
InChIKeyBMHXWMRZAALYPK-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.70
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-[(2-propan-2-yloxyphenyl)carbamothioyl]hexanamide
CID 17151100
N-[(2-butoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188363
2-methoxyethyl 4-[(2-methoxyphenyl)carbamothioylamino]-4-oxobutanoate
CID 17338862
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354
N-(naphthalen-1-ylcarbamothioyl)undecanamide
CID 166518646
N-[4-(2-methoxyanilino)phenyl]pentanamide
CID 112987324
N-ethyl-2-(pentanoylcarbamothioylamino)benzamide
CID 4949625
5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931546
N-[(2-propan-2-ylphenyl)carbamothioyl]heptanamide
CID 54789169
N-[6-(2-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048085
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)carbamothioyl]pentanamide?
The IUPAC name of N-[(2-methoxyphenyl)carbamothioyl]pentanamide (CID 19187716) is N-[(2-methoxyphenyl)carbamothioyl]pentanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)carbamothioyl]pentanamide?
The canonical SMILES for N-[(2-methoxyphenyl)carbamothioyl]pentanamide is CCCCC(=O)NC(=S)Nc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)carbamothioyl]pentanamide?
The InChIKey is BMHXWMRZAALYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-4-9-12(16)15-13(18)14-10-7-5-6-8-11(10)17-2/h5-8H,3-4,9H2,1-2H3,(H2,14,15,16,18).
What are the key properties of N-[(2-methoxyphenyl)carbamothioyl]pentanamide?
N-[(2-methoxyphenyl)carbamothioyl]pentanamide has a molecular weight of 266.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)carbamothioyl]pentanamide is sourced from PubChem (CID 19187716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).