2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide

C14H14N2OS2 — CID 63613033

IUPAC2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)NCc2ccsc2)cc1
InChIInChI=1S/C14H14N2OS2/c15-14(18)12-3-1-10(2-4-12)7-13(17)16-8-11-5-6-19-9-11/h1-6,9H,7-8H2,(H2,15,18)(H,16,17)
InChIKeyYSPCIAIQWNNLDA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.24
Rot. Bonds5

About 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide

2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 63613033) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID63613033
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)NCc2ccsc2)cc1
InChIInChI=1S/C14H14N2OS2/c15-14(18)12-3-1-10(2-4-12)7-13(17)16-8-11-5-6-19-9-11/h1-6,9H,7-8H2,(H2,15,18)(H,16,17)
InChIKeyYSPCIAIQWNNLDA-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
2-[2-(aminomethyl)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 81322396
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
2-(4-carbamothioylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 63611673
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
N-[(3-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309839
2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63613534
N-[(4-carbamothioylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63022697

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide (CID 63613033) is 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide is NC(=S)c1ccc(CC(=O)NCc2ccsc2)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is YSPCIAIQWNNLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c15-14(18)12-3-1-10(2-4-12)7-13(17)16-8-11-5-6-19-9-11/h1-6,9H,7-8H2,(H2,15,18)(H,16,17).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide?
2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 63613033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).