N-[(4-butylphenyl)carbamothioyl]propanamide

C14H20N2OS — CID 4281226

IUPACN-[(4-butylphenyl)carbamothioyl]propanamide
SMILESCCCCc1ccc(NC(=S)NC(=O)CC)cc1
InChIInChI=1S/C14H20N2OS/c1-3-5-6-11-7-9-12(10-8-11)15-14(18)16-13(17)4-2/h7-10H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyFZDMNFSWSUOWHU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.25
Rot. Bonds5

About N-[(4-butylphenyl)carbamothioyl]propanamide

N-[(4-butylphenyl)carbamothioyl]propanamide (PubChem CID 4281226) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(4-butylphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[(4-butylphenyl)carbamothioyl]propanamide
PubChem CID4281226
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(4-butylphenyl)carbamothioyl]propanamide
SMILESCCCCc1ccc(NC(=S)NC(=O)CC)cc1
InChIInChI=1S/C14H20N2OS/c1-3-5-6-11-7-9-12(10-8-11)15-14(18)16-13(17)4-2/h7-10H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyFZDMNFSWSUOWHU-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.25
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

2-[4-[(4-butylphenyl)carbamothioylamino]phenyl]acetic acid
CID 19649094
N-[[4-(propanoylamino)phenyl]carbamothioyl]tetradecanamide
CID 54791172
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
butyl 4-(propanoylcarbamothioylamino)benzoate
CID 59787010
1-(4-butylphenyl)-3-(dimethylamino)thiourea
CID 8626030
N-[[4-(dimethylamino)phenyl]carbamothioyl]propanamide
CID 823780
4-chloro-N-[4-(propanoylcarbamothioylamino)phenyl]butanamide
CID 4635791
N-[(4-butylphenyl)carbamothioyl]-3-fluorobenzamide
CID 2279604
3-methyl-N-[4-(propanoylcarbamothioylamino)phenyl]butanamide
CID 4635790
1-(4-butylphenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488849
N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 1314274

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)carbamothioyl]propanamide?
The IUPAC name of N-[(4-butylphenyl)carbamothioyl]propanamide (CID 4281226) is N-[(4-butylphenyl)carbamothioyl]propanamide.
What is the SMILES notation for N-[(4-butylphenyl)carbamothioyl]propanamide?
The canonical SMILES for N-[(4-butylphenyl)carbamothioyl]propanamide is CCCCc1ccc(NC(=S)NC(=O)CC)cc1.
What is the InChIKey of N-[(4-butylphenyl)carbamothioyl]propanamide?
The InChIKey is FZDMNFSWSUOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-5-6-11-7-9-12(10-8-11)15-14(18)16-13(17)4-2/h7-10H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-[(4-butylphenyl)carbamothioyl]propanamide?
N-[(4-butylphenyl)carbamothioyl]propanamide has a molecular weight of 264.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 4281226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).