2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide

C14H13ClN2OS2 — CID 3410297

IUPAC2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS2/c15-12-6-2-1-5-11(12)13(18)17-14(19)16-8-7-10-4-3-9-20-10/h1-6,9H,7-8H2,(H2,16,17,18,19)
InChIKeyLQWMRRXJMKPSAA-UHFFFAOYSA-N
MW324.86 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide

2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide (PubChem CID 3410297) has the molecular formula C14H13ClN2OS2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide
PubChem CID3410297
Molecular FormulaC14H13ClN2OS2
Molecular Weight324.86 g/mol
Exact Mass324.02
IUPAC Name2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2OS2/c15-12-6-2-1-5-11(12)13(18)17-14(19)16-8-7-10-4-3-9-20-10/h1-6,9H,7-8H2,(H2,16,17,18,19)
InChIKeyLQWMRRXJMKPSAA-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 53.25
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

2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925309
2-chloro-N-[2-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111043298
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 46920502
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
1-(3-chlorophenyl)-3-(2-thiophen-2-ylethyl)thiourea
CID 5019399
2-chloro-N-[2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111259667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide?
The IUPAC name of 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide (CID 3410297) is 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide is O=C(NC(=S)NCCc1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide?
The InChIKey is LQWMRRXJMKPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS2/c15-12-6-2-1-5-11(12)13(18)17-14(19)16-8-7-10-4-3-9-20-10/h1-6,9H,7-8H2,(H2,16,17,18,19).
What are the key properties of 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide?
2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide has a molecular weight of 324.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide is sourced from PubChem (CID 3410297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).