2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide

C16H24N2O2S — CID 81297349

IUPAC2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(NCCOC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2S/c1-19-13-7-8-14(16(17)21)15(11-13)18-9-10-20-12-5-3-2-4-6-12/h7-8,11-12,18H,2-6,9-10H2,1H3,(H2,17,21)
InChIKeySNXDEHSQARNUDB-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.09
Rot. Bonds7

About 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide

2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide (PubChem CID 81297349) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide
PubChem CID81297349
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(NCCOC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2S/c1-19-13-7-8-14(16(17)21)15(11-13)18-9-10-20-12-5-3-2-4-6-12/h7-8,11-12,18H,2-6,9-10H2,1H3,(H2,17,21)
InChIKeySNXDEHSQARNUDB-UHFFFAOYSA-N
XLogP3.09
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2-cyclopentyloxyethylamino)-4-methylbenzenecarbothioamide
CID 55260122
4-methoxy-2-(2-propan-2-yloxyethylamino)benzenecarbothioamide
CID 104761774
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
4-methoxy-2-(3-pyrrolidin-1-ylpropylamino)benzenecarbothioamide
CID 81306691
4-methoxy-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenecarbothioamide
CID 81305583
4-methoxy-2-(3-sulfamoylpropylamino)benzenecarbothioamide
CID 81306767
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carbothioamide
CID 63828659
2-[2-(4-fluorophenyl)ethylamino]-4-methoxybenzenecarbothioamide
CID 81297627
2-[3-(methanesulfonamido)propylamino]-4-methoxybenzenecarbothioamide
CID 106339030
4-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 106789100
2-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzenecarbothioamide
CID 81306093

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide?
The IUPAC name of 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide (CID 81297349) is 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide?
The canonical SMILES for 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide is COc1ccc(C(N)=S)c(NCCOC2CCCCC2)c1.
What is the InChIKey of 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide?
The InChIKey is SNXDEHSQARNUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-19-13-7-8-14(16(17)21)15(11-13)18-9-10-20-12-5-3-2-4-6-12/h7-8,11-12,18H,2-6,9-10H2,1H3,(H2,17,21).
What are the key properties of 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide?
2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide has a molecular weight of 308.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethylamino)-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 81297349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).