N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide

C22H24N2O2S — CID 19628456

IUPACN-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
SMILESC=CCN(CC=C)C(=S)NC(=O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-3-15-24(16-4-2)22(27)23-21(25)19-12-8-9-13-20(19)26-17-14-18-10-6-5-7-11-18/h3-13H,1-2,14-17H2,(H,23,25,27)
InChIKeyBGJVUDGQNIGTDQ-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.00
Rot. Bonds9

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

N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide (PubChem CID 19628456) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
PubChem CID19628456
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
SMILESC=CCN(CC=C)C(=S)NC(=O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-3-15-24(16-4-2)22(27)23-21(25)19-12-8-9-13-20(19)26-17-14-18-10-6-5-7-11-18/h3-13H,1-2,14-17H2,(H,23,25,27)
InChIKeyBGJVUDGQNIGTDQ-UHFFFAOYSA-N
XLogP4.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
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

2-(2-phenylethoxy)-N-(pyrrolidine-1-carbothioyl)benzamide
CID 19628425
5-bromo-2-(2-phenylethoxy)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide
CID 17046862
2-(2-phenylethoxy)-N-(piperidine-1-carbothioyl)benzamide
CID 19628412
2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628378
N-[(2-bromophenyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628446
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628600
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 28642838
N-[[4-(diethylamino)phenyl]carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628362
N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-propoxybenzamide
CID 28642812
N-[benzyl(2-cyanoethyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 43912041
N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
CID 19628253
N-(4-anilinophenyl)-2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628505

Frequently Asked Questions

What is the IUPAC name of N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide (CID 19628456) is N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide is C=CCN(CC=C)C(=S)NC(=O)c1ccccc1OCCc1ccccc1.
What is the InChIKey of N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide?
The InChIKey is BGJVUDGQNIGTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-3-15-24(16-4-2)22(27)23-21(25)19-12-8-9-13-20(19)26-17-14-18-10-6-5-7-11-18/h3-13H,1-2,14-17H2,(H,23,25,27).
What are the key properties of N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide?
N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(prop-2-enyl)carbamothioyl]-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 19628456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).