4-carbamothioyl-N-(3-ethoxyphenyl)benzamide

C16H16N2O2S — CID 61242679

IUPAC4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C16H16N2O2S/c1-2-20-14-5-3-4-13(10-14)18-16(19)12-8-6-11(7-9-12)15(17)21/h3-10H,2H2,1H3,(H2,17,21)(H,18,19)
InChIKeyGNIVNDBTARGONG-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.97
Rot. Bonds5

About 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide

4-carbamothioyl-N-(3-ethoxyphenyl)benzamide (PubChem CID 61242679) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
PubChem CID61242679
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
SMILESCCOc1cccc(NC(=O)c2ccc(C(N)=S)cc2)c1
InChIInChI=1S/C16H16N2O2S/c1-2-20-14-5-3-4-13(10-14)18-16(19)12-8-6-11(7-9-12)15(17)21/h3-10H,2H2,1H3,(H2,17,21)(H,18,19)
InChIKeyGNIVNDBTARGONG-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.97
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-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
CID 60933770
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
CID 104627784
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
N-(3-ethoxyphenyl)-1H-indole-5-carboxamide
CID 63718266
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide (CID 61242679) is 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide is CCOc1cccc(NC(=O)c2ccc(C(N)=S)cc2)c1.
What is the InChIKey of 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide?
The InChIKey is GNIVNDBTARGONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-20-14-5-3-4-13(10-14)18-16(19)12-8-6-11(7-9-12)15(17)21/h3-10H,2H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide?
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(3-ethoxyphenyl)benzamide is sourced from PubChem (CID 61242679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).