N-carbamothioyl-5-phenylpentanamide

C12H16N2OS — CID 154164034

IUPACN-carbamothioyl-5-phenylpentanamide
SMILESNC(=S)NC(=O)CCCCc1ccccc1
InChIInChI=1S/C12H16N2OS/c13-12(16)14-11(15)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H3,13,14,15,16)
InChIKeyZRKIRUJJBNOUHQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.76
Rot. Bonds5

About N-carbamothioyl-5-phenylpentanamide

N-carbamothioyl-5-phenylpentanamide (PubChem CID 154164034) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-carbamothioyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-carbamothioyl-5-phenylpentanamide
PubChem CID154164034
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-carbamothioyl-5-phenylpentanamide
SMILESNC(=S)NC(=O)CCCCc1ccccc1
InChIInChI=1S/C12H16N2OS/c13-12(16)14-11(15)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H3,13,14,15,16)
InChIKeyZRKIRUJJBNOUHQ-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
N-methyl-9-phenylnonanamide
CID 118028570
1,9-diphenylnonan-5-one
CID 23467830
N-ethyl-6-phenylhexanamide
CID 70953257
N-(4-carbamothioylphenyl)-4-phenylbutanamide
CID 28939713
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
15-phenylpentadecanoic acid
CID 2737151
N-(diaminomethylidene)-5-phenylpentanamide
CID 56974578
N-(2-phenylethylcarbamothioyl)heptanamide
CID 54789032
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-phenylbutanamide
CID 61120224
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
2-oxo-3-(6-phenylhexanoylamino)propanoic acid
CID 59565788

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-5-phenylpentanamide?
The IUPAC name of N-carbamothioyl-5-phenylpentanamide (CID 154164034) is N-carbamothioyl-5-phenylpentanamide.
What is the SMILES notation for N-carbamothioyl-5-phenylpentanamide?
The canonical SMILES for N-carbamothioyl-5-phenylpentanamide is NC(=S)NC(=O)CCCCc1ccccc1.
What is the InChIKey of N-carbamothioyl-5-phenylpentanamide?
The InChIKey is ZRKIRUJJBNOUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-12(16)14-11(15)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H3,13,14,15,16).
What are the key properties of N-carbamothioyl-5-phenylpentanamide?
N-carbamothioyl-5-phenylpentanamide has a molecular weight of 236.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-5-phenylpentanamide is sourced from PubChem (CID 154164034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).