N-(benzoylcarbamothioyl)benzamide;ethene

C17H16N2O2S — CID 157078951

IUPACN-(benzoylcarbamothioyl)benzamide;ethene
SMILESC=C.O=C(NC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O2S.C2H4/c18-13(11-7-3-1-4-8-11)16-15(20)17-14(19)12-9-5-2-6-10-12;1-2/h1-10H,(H2,16,17,18,19,20);1-2H2
InChIKeyADHMHPMGSXRJSJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.93
Rot. Bonds2

About N-(benzoylcarbamothioyl)benzamide;ethene

N-(benzoylcarbamothioyl)benzamide;ethene (PubChem CID 157078951) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(benzoylcarbamothioyl)benzamide;ethene.

Molecular Properties

Compound NameN-(benzoylcarbamothioyl)benzamide;ethene
PubChem CID157078951
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(benzoylcarbamothioyl)benzamide;ethene
SMILESC=C.O=C(NC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2O2S.C2H4/c18-13(11-7-3-1-4-8-11)16-15(20)17-14(19)12-9-5-2-6-10-12;1-2/h1-10H,(H2,16,17,18,19,20);1-2H2
InChIKeyADHMHPMGSXRJSJ-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylcarbamothioyl)benzamide
CID 3620996
N-(benzylcarbamothioyl)benzamide
CID 700976
N-(3-hydroxypropylcarbamothioyl)benzamide
CID 4927187
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974
N-carbamothioylbenzamide;naphthalene
CID 20980035
N-methylbenzamide
CID 11954
4-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50850018
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3410064
N-(phenanthren-9-ylcarbamothioyl)benzamide
CID 1479750
N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 1314274
N-carbamoylbenzamide;urea
CID 157303801

Frequently Asked Questions

What is the IUPAC name of N-(benzoylcarbamothioyl)benzamide;ethene?
The IUPAC name of N-(benzoylcarbamothioyl)benzamide;ethene (CID 157078951) is N-(benzoylcarbamothioyl)benzamide;ethene.
What is the SMILES notation for N-(benzoylcarbamothioyl)benzamide;ethene?
The canonical SMILES for N-(benzoylcarbamothioyl)benzamide;ethene is C=C.O=C(NC(=S)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzoylcarbamothioyl)benzamide;ethene?
The InChIKey is ADHMHPMGSXRJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S.C2H4/c18-13(11-7-3-1-4-8-11)16-15(20)17-14(19)12-9-5-2-6-10-12;1-2/h1-10H,(H2,16,17,18,19,20);1-2H2.
What are the key properties of N-(benzoylcarbamothioyl)benzamide;ethene?
N-(benzoylcarbamothioyl)benzamide;ethene has a molecular weight of 312.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzoylcarbamothioyl)benzamide;ethene is sourced from PubChem (CID 157078951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).