2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide

C17H20N2OS — CID 81296395

IUPAC2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide
SMILESCCc1cccc(C)c1Nc1cc(OC)ccc1C(N)=S
InChIInChI=1S/C17H20N2OS/c1-4-12-7-5-6-11(2)16(12)19-15-10-13(20-3)8-9-14(15)17(18)21/h5-10,19H,4H2,1-3H3,(H2,18,21)
InChIKeyPYRAZAOARROLLZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.94
Rot. Bonds5

About 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide

2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide (PubChem CID 81296395) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide
PubChem CID81296395
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide
SMILESCCc1cccc(C)c1Nc1cc(OC)ccc1C(N)=S
InChIInChI=1S/C17H20N2OS/c1-4-12-7-5-6-11(2)16(12)19-15-10-13(20-3)8-9-14(15)17(18)21/h5-10,19H,4H2,1-3H3,(H2,18,21)
InChIKeyPYRAZAOARROLLZ-UHFFFAOYSA-N
XLogP3.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.94
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-ethylanilino)-4-methoxybenzenecarbothioamide
CID 81306826
4-(2-ethyl-6-methylanilino)-2,3-difluorobenzenecarbothioamide
CID 107934360
3-(2-ethyl-6-methylanilino)pyridine-4-carbothioamide
CID 114288025
2-(2,4-dimethoxyanilino)-3-methylbenzenecarbothioamide
CID 107107680
2-(2-ethyl-6-methylanilino)-6-methylpyridine-3-carbothioamide
CID 63513755
4-methoxy-2-(4-methylanilino)benzenecarbothioamide
CID 81306668
5-amino-2-(2-ethyl-6-methylanilino)benzamide
CID 61313663
2-(3-bromoanilino)-4-methoxybenzenecarbothioamide
CID 81306666
4-methoxy-2-(2-methylsulfanylanilino)benzenecarbothioamide
CID 107644924
2-[(3-fluorophenyl)methylamino]-4-methoxybenzenecarbothioamide
CID 81306829
2-(3,5-dichloroanilino)-4-methoxybenzenecarbothioamide
CID 81306064
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide (CID 81296395) is 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide is CCc1cccc(C)c1Nc1cc(OC)ccc1C(N)=S.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide?
The InChIKey is PYRAZAOARROLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-12-7-5-6-11(2)16(12)19-15-10-13(20-3)8-9-14(15)17(18)21/h5-10,19H,4H2,1-3H3,(H2,18,21).
What are the key properties of 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide?
2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide has a molecular weight of 300.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylanilino)-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 81296395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).