N-ethanethioyl-N-ethylbenzamide

C11H13NOS — CID 45118543

IUPACN-ethanethioyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1)C(C)=S
InChIInChI=1S/C11H13NOS/c1-3-12(9(2)14)11(13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyDQPGUVWCMJNXQE-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.50
Rot. Bonds2

About N-ethanethioyl-N-ethylbenzamide

N-ethanethioyl-N-ethylbenzamide (PubChem CID 45118543) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is N-ethanethioyl-N-ethylbenzamide.

Molecular Properties

Compound NameN-ethanethioyl-N-ethylbenzamide
PubChem CID45118543
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC NameN-ethanethioyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1)C(C)=S
InChIInChI=1S/C11H13NOS/c1-3-12(9(2)14)11(13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyDQPGUVWCMJNXQE-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71326670
N-carbamimidoyl-N-ethylbenzamide
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CID 142599008
CID 174412487
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N-carbamothioyl-N-decylbenzamide
CID 161130418
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N-butanoyl-N-propylbenzamide
CID 70941556
N-(ethylcarbamothioyl)-N-phenylbenzamide
CID 57059223
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate
CID 121234148
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
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N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
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Frequently Asked Questions

What is the IUPAC name of N-ethanethioyl-N-ethylbenzamide?
The IUPAC name of N-ethanethioyl-N-ethylbenzamide (CID 45118543) is N-ethanethioyl-N-ethylbenzamide.
What is the SMILES notation for N-ethanethioyl-N-ethylbenzamide?
The canonical SMILES for N-ethanethioyl-N-ethylbenzamide is CCN(C(=O)c1ccccc1)C(C)=S.
What is the InChIKey of N-ethanethioyl-N-ethylbenzamide?
The InChIKey is DQPGUVWCMJNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-3-12(9(2)14)11(13)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of N-ethanethioyl-N-ethylbenzamide?
N-ethanethioyl-N-ethylbenzamide has a molecular weight of 207.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanethioyl-N-ethylbenzamide is sourced from PubChem (CID 45118543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).