N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide

C16H24N2OS — CID 82984144

IUPACN-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-3-5-14(6-4-2)16(19)18-11-12-7-9-13(10-8-12)15(17)20/h7-10,14H,3-6,11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHUCVKBQKQCAGKR-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.15
Rot. Bonds8

About N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide

N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide (PubChem CID 82984144) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide
PubChem CID82984144
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc(C(N)=S)cc1
InChIInChI=1S/C16H24N2OS/c1-3-5-14(6-4-2)16(19)18-11-12-7-9-13(10-8-12)15(17)20/h7-10,14H,3-6,11H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHUCVKBQKQCAGKR-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.15
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-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
N-[(4-carbamothioylphenyl)methyl]-2,2-dimethylpropanamide
CID 62309629
3-[(4-carbamothioylphenyl)methyl]-1,1-dimethylurea
CID 79154856
4-[[[1-aminobutyl(hydroxy)phosphoryl]carbothioylamino]methyl]benzoic acid
CID 46885672
N-[(4-carbamothioylphenyl)methyl]-2-methoxyacetamide
CID 62309444
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
N-(5-carbamothioyl-2-chlorophenyl)-2-propylpentanamide
CID 82984602
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
4-[[2-[2-[[2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]amino]ethyl]pentanoylamino]methyl]benzoic acid
CID 87165951

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide?
The IUPAC name of N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide (CID 82984144) is N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide.
What is the SMILES notation for N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide?
The canonical SMILES for N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCc1ccc(C(N)=S)cc1.
What is the InChIKey of N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide?
The InChIKey is HUCVKBQKQCAGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-5-14(6-4-2)16(19)18-11-12-7-9-13(10-8-12)15(17)20/h7-10,14H,3-6,11H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide?
N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide has a molecular weight of 292.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamothioylphenyl)methyl]-2-propylpentanamide is sourced from PubChem (CID 82984144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).