2-(2-ethylanilino)-4-methoxybenzenecarbothioamide

C16H18N2OS — CID 81306826

IUPAC2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
SMILESCCc1ccccc1Nc1cc(OC)ccc1C(N)=S
InChIInChI=1S/C16H18N2OS/c1-3-11-6-4-5-7-14(11)18-15-10-12(19-2)8-9-13(15)16(17)20/h4-10,18H,3H2,1-2H3,(H2,17,20)
InChIKeyUFBPATZBJJZZGC-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.64
Rot. Bonds5

About 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide

2-(2-ethylanilino)-4-methoxybenzenecarbothioamide (PubChem CID 81306826) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
PubChem CID81306826
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
SMILESCCc1ccccc1Nc1cc(OC)ccc1C(N)=S
InChIInChI=1S/C16H18N2OS/c1-3-11-6-4-5-7-14(11)18-15-10-12(19-2)8-9-13(15)16(17)20/h4-10,18H,3H2,1-2H3,(H2,17,20)
InChIKeyUFBPATZBJJZZGC-UHFFFAOYSA-N
XLogP3.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.64
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

2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide
CID 81296395
4-methoxy-2-(2-methylsulfanylanilino)benzenecarbothioamide
CID 107644924
4-methoxy-2-(4-methylanilino)benzenecarbothioamide
CID 81306668
2-(3,5-dichloroanilino)-4-methoxybenzenecarbothioamide
CID 81306064
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
2-(3-bromoanilino)-4-methoxybenzenecarbothioamide
CID 81306666
2-(2-bromo-5-fluoroanilino)-4-methoxybenzenecarbothioamide
CID 107635649
2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
CID 83016164
4-methoxy-2-(pentan-2-ylamino)benzenecarbothioamide
CID 81306230
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
4-bromo-2-(2-methoxyanilino)benzenecarbothioamide
CID 114902588
N-tert-butyl-2-(2-carbamothioyl-5-methoxyanilino)acetamide
CID 115356340

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide?
The IUPAC name of 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide (CID 81306826) is 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide?
The canonical SMILES for 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide is CCc1ccccc1Nc1cc(OC)ccc1C(N)=S.
What is the InChIKey of 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide?
The InChIKey is UFBPATZBJJZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-11-6-4-5-7-14(11)18-15-10-12(19-2)8-9-13(15)16(17)20/h4-10,18H,3H2,1-2H3,(H2,17,20).
What are the key properties of 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide?
2-(2-ethylanilino)-4-methoxybenzenecarbothioamide has a molecular weight of 286.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 81306826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).