N-[methyl(prop-2-enyl)carbamothioyl]benzamide

C12H14N2OS — CID 71374205

IUPACN-[methyl(prop-2-enyl)carbamothioyl]benzamide
SMILESC=CCN(C)C(=S)NC(=O)c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-3-9-14(2)12(16)13-11(15)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,13,15,16)
InChIKeyKYTZQHYMRBMHJL-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.82
Rot. Bonds3

About N-[methyl(prop-2-enyl)carbamothioyl]benzamide

N-[methyl(prop-2-enyl)carbamothioyl]benzamide (PubChem CID 71374205) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[methyl(prop-2-enyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[methyl(prop-2-enyl)carbamothioyl]benzamide
PubChem CID71374205
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-[methyl(prop-2-enyl)carbamothioyl]benzamide
SMILESC=CCN(C)C(=S)NC(=O)c1ccccc1
InChIInChI=1S/C12H14N2OS/c1-3-9-14(2)12(16)13-11(15)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,13,15,16)
InChIKeyKYTZQHYMRBMHJL-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl 3-[bis(prop-2-enyl)carbamothioylcarbamoyl]benzoate
CID 17175603
N-[benzyl(methyl)carbamothioyl]furan-2-carboxamide
CID 923050
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
CID 135603698
N-[benzyl(methyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937286
3-(benzenecarbonothioyl)-1-phenyl-1-prop-2-enylurea
CID 2958860
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
N-[benzyl(methyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134568
N-[benzyl(phenyl)carbamothioyl]benzamide
CID 44825170
N-methyl-N-prop-2-enyl-3-sulfanylbenzamide
CID 107033477
N-[[methyl(2-methylprop-2-enylcarbamothioyl)amino]carbamothioyl]benzamide
CID 10064747

Frequently Asked Questions

What is the IUPAC name of N-[methyl(prop-2-enyl)carbamothioyl]benzamide?
The IUPAC name of N-[methyl(prop-2-enyl)carbamothioyl]benzamide (CID 71374205) is N-[methyl(prop-2-enyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[methyl(prop-2-enyl)carbamothioyl]benzamide?
The canonical SMILES for N-[methyl(prop-2-enyl)carbamothioyl]benzamide is C=CCN(C)C(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[methyl(prop-2-enyl)carbamothioyl]benzamide?
The InChIKey is KYTZQHYMRBMHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-9-14(2)12(16)13-11(15)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3,(H,13,15,16).
What are the key properties of N-[methyl(prop-2-enyl)carbamothioyl]benzamide?
N-[methyl(prop-2-enyl)carbamothioyl]benzamide has a molecular weight of 234.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(prop-2-enyl)carbamothioyl]benzamide is sourced from PubChem (CID 71374205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).