N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide

C17H19N3O2S — CID 82031986

IUPACN-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(=O)n(C(C)(C)C(=O)Nc2cccc(C(N)=S)c2)c1
InChIInChI=1S/C17H19N3O2S/c1-11-7-8-14(21)20(10-11)17(2,3)16(22)19-13-6-4-5-12(9-13)15(18)23/h4-10H,1-3H3,(H2,18,23)(H,19,22)
InChIKeyMHUJLJQKVLKYSE-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.16
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide

N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 82031986) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide
PubChem CID82031986
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccc(=O)n(C(C)(C)C(=O)Nc2cccc(C(N)=S)c2)c1
InChIInChI=1S/C17H19N3O2S/c1-11-7-8-14(21)20(10-11)17(2,3)16(22)19-13-6-4-5-12(9-13)15(18)23/h4-10H,1-3H3,(H2,18,23)(H,19,22)
InChIKeyMHUJLJQKVLKYSE-UHFFFAOYSA-N
XLogP2.16
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.16
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-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
CID 82031982
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962868
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
N-(3-carbamothioylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 29002289
N-(3-carbamothioylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801518
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(3-carbamothioylphenyl)-2-(2-methyl-6-oxo-1-pyridinyl)butanamide
CID 82031983
N-(3-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24692503
3-(3-carbamothioylphenyl)-1,1-diethylurea
CID 79162256
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144
N-(3-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365693

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide (CID 82031986) is N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide is Cc1ccc(=O)n(C(C)(C)C(=O)Nc2cccc(C(N)=S)c2)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is MHUJLJQKVLKYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-7-8-14(21)20(10-11)17(2,3)16(22)19-13-6-4-5-12(9-13)15(18)23/h4-10H,1-3H3,(H2,18,23)(H,19,22).
What are the key properties of N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide?
N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide has a molecular weight of 329.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82031986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).