5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide

C14H19N3O2S — CID 106237086

IUPAC5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
SMILESNC(=O)CCCCNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H19N3O2S/c15-12(18)3-1-2-8-17-13(19)9-10-4-6-11(7-5-10)14(16)20/h4-7H,1-3,8-9H2,(H2,15,18)(H2,16,20)(H,17,19)
InChIKeyXOWWLLBKBCLBTJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.64
Rot. Bonds8

About 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide

5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide (PubChem CID 106237086) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
PubChem CID106237086
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
SMILESNC(=O)CCCCNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H19N3O2S/c15-12(18)3-1-2-8-17-13(19)9-10-4-6-11(7-5-10)14(16)20/h4-7H,1-3,8-9H2,(H2,15,18)(H2,16,20)(H,17,19)
InChIKeyXOWWLLBKBCLBTJ-UHFFFAOYSA-N
XLogP0.64
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
2-(4-carbamothioylphenyl)-N-(4,4,4-trifluorobutyl)acetamide
CID 115519806
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 63613701
2-(4-carbamothioylphenyl)-N-(2-cyclopentylethyl)acetamide
CID 63591386
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
5-[(4-carbamothioylphenyl)sulfonylamino]pentanamide
CID 106237168
2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 63611510

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide?
The IUPAC name of 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide (CID 106237086) is 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide.
What is the SMILES notation for 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide?
The canonical SMILES for 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide is NC(=O)CCCCNC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide?
The InChIKey is XOWWLLBKBCLBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-12(18)3-1-2-8-17-13(19)9-10-4-6-11(7-5-10)14(16)20/h4-7H,1-3,8-9H2,(H2,15,18)(H2,16,20)(H,17,19).
What are the key properties of 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide?
5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide has a molecular weight of 293.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 106237086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).