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

C17H19N3O2S — CID 82031982

IUPACN-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C(N)=S)c1)n1cc(C)ccc1=O
InChIInChI=1S/C17H19N3O2S/c1-3-14(20-10-11(2)7-8-15(20)21)17(22)19-13-6-4-5-12(9-13)16(18)23/h4-10,14H,3H2,1-2H3,(H2,18,23)(H,19,22)
InChIKeyMPLGUEOWUNOVQY-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.38
Rot. Bonds5

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

N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide (PubChem CID 82031982) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
PubChem CID82031982
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C(N)=S)c1)n1cc(C)ccc1=O
InChIInChI=1S/C17H19N3O2S/c1-3-14(20-10-11(2)7-8-15(20)21)17(22)19-13-6-4-5-12(9-13)16(18)23/h4-10,14H,3H2,1-2H3,(H2,18,23)(H,19,22)
InChIKeyMPLGUEOWUNOVQY-UHFFFAOYSA-N
XLogP2.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.38
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-(4-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
CID 82032016
N-(3-carbamothioylphenyl)-2-(2-methyl-6-oxo-1-pyridinyl)butanamide
CID 82031983
N-(3-carbamothioylphenyl)-2-methyl-2-(5-methyl-2-oxo-1-pyridinyl)propanamide
CID 82031986
N-(3-carbamothioylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962868
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
CID 82031532
N-(3-carbamothioylphenyl)-2-pentoxypropanamide
CID 43275158
3-(3-carbamothioylphenyl)-1,1-diethylurea
CID 79162256
2-[butan-2-yl(methyl)amino]-N-(3-carbamothioylphenyl)acetamide
CID 43272948
ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate
CID 46301226
N-(3-carbamothioylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801518
N-(3-carbamothioylphenyl)-3,3,3-trifluoropropanamide
CID 24692503

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide (CID 82031982) is N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide is CCC(C(=O)Nc1cccc(C(N)=S)c1)n1cc(C)ccc1=O.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide?
The InChIKey is MPLGUEOWUNOVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-3-14(20-10-11(2)7-8-15(20)21)17(22)19-13-6-4-5-12(9-13)16(18)23/h4-10,14H,3H2,1-2H3,(H2,18,23)(H,19,22).
What are the key properties of N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide?
N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide has a molecular weight of 329.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide is sourced from PubChem (CID 82031982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).