N-[(2,4-dimethylphenyl)carbamothioyl]propanamide

C12H16N2OS — CID 3777928

IUPACN-[(2,4-dimethylphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccc(C)cc1C
InChIInChI=1S/C12H16N2OS/c1-4-11(15)14-12(16)13-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3,(H2,13,14,15,16)
InChIKeyQGAWRUINIMVBDL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.53
Rot. Bonds2

About N-[(2,4-dimethylphenyl)carbamothioyl]propanamide

N-[(2,4-dimethylphenyl)carbamothioyl]propanamide (PubChem CID 3777928) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamothioyl]propanamide
PubChem CID3777928
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[(2,4-dimethylphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccc(C)cc1C
InChIInChI=1S/C12H16N2OS/c1-4-11(15)14-12(16)13-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3,(H2,13,14,15,16)
InChIKeyQGAWRUINIMVBDL-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
CID 54789192
N-[(2-methylphenyl)carbamothioyl]propanamide
CID 884642
2-(2,5-dimethylphenoxy)-N-[(2,4-dimethylphenyl)carbamothioyl]acetamide
CID 916665
N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099918
N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19188936
1-[(2R)-butan-2-yl]-3-(2,4-dimethylphenyl)thiourea
CID 2363033
N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
2-chloro-N-[(1R)-2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]acetamide
CID 2305560
N-[(4-chloro-2-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 19188042
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
CID 4282829
4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 17141485

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]propanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]propanamide (CID 3777928) is N-[(2,4-dimethylphenyl)carbamothioyl]propanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamothioyl]propanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamothioyl]propanamide is CCC(=O)NC(=S)Nc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamothioyl]propanamide?
The InChIKey is QGAWRUINIMVBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-11(15)14-12(16)13-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N-[(2,4-dimethylphenyl)carbamothioyl]propanamide?
N-[(2,4-dimethylphenyl)carbamothioyl]propanamide has a molecular weight of 236.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 3777928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).