N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide

C17H18N2O2S — CID 4266550

IUPACN-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
SMILESCOc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-15-9-7-13(8-10-15)11-12-18-17(22)19-16(20)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,18,19,20,22)
InChIKeyLYUYJWUZZGRYBT-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide

N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide (PubChem CID 4266550) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
PubChem CID4266550
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide
SMILESCOc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-15-9-7-13(8-10-15)11-12-18-17(22)19-16(20)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,18,19,20,22)
InChIKeyLYUYJWUZZGRYBT-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.54
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-[2-(4-methylphenyl)ethylcarbamothioyl]benzamide
CID 88874738
N-(benzylcarbamothioyl)-4-methoxybenzamide
CID 920618
N-[2-(4-methoxyphenyl)ethyl]benzenecarbothioamide
CID 18891957
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
4-cyano-N-(2-phenylethylcarbamothioyl)benzamide
CID 22908154
4-methoxy-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233680
3-butan-2-yloxy-N-(2-phenylethylcarbamothioyl)benzamide
CID 17149973
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
1-(2-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea
CID 797368

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide (CID 4266550) is N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide is COc1ccc(CCNC(=S)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide?
The InChIKey is LYUYJWUZZGRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-15-9-7-13(8-10-15)11-12-18-17(22)19-16(20)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide?
N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethylcarbamothioyl]benzamide is sourced from PubChem (CID 4266550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).