2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide

C16H17N3O2S — CID 2995398

IUPAC2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCOc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
InChIInChI=1S/C16H17N3O2S/c1-10-6-4-8-12(14(10)21-3)15(20)19-16(22)18-13-9-5-7-11(2)17-13/h4-9H,1-3H3,(H2,17,18,19,20,22)
InChIKeyCKWGUVUEYTZTEF-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.83
Rot. Bonds3

About 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide

2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide (PubChem CID 2995398) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
PubChem CID2995398
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
SMILESCOc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1
InChIInChI=1S/C16H17N3O2S/c1-10-6-4-8-12(14(10)21-3)15(20)19-16(22)18-13-9-5-7-11(2)17-13/h4-9H,1-3H3,(H2,17,18,19,20,22)
InChIKeyCKWGUVUEYTZTEF-UHFFFAOYSA-N
XLogP2.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-iodophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1259324
4-chloro-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 880481
3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 741782
2-methoxy-3-methyl-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17099552
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 4675446
N-(benzylcarbamothioyl)-2-methoxy-3-methylbenzamide
CID 17100458
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 1295574
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 4213163
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2235183
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17103583
N-[(2-butan-2-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 17100406
3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]-4-nitrobenzamide
CID 3757488

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide (CID 2995398) is 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide is COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)n1.
What is the InChIKey of 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
The InChIKey is CKWGUVUEYTZTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-6-4-8-12(14(10)21-3)15(20)19-16(22)18-13-9-5-7-11(2)17-13/h4-9H,1-3H3,(H2,17,18,19,20,22).
What are the key properties of 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide?
2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide has a molecular weight of 315.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 2995398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).