N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide

C17H18N4OS — CID 18795136

IUPACN-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide
SMILESNC(=S)N/N=C(/CNC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N4OS/c18-17(23)21-20-15(14-9-5-2-6-10-14)12-19-16(22)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,19,22)(H3,18,21,23)/b20-15-
InChIKeyOQIJFEQQODKDEJ-HKWRFOASSA-N
MW326.43 g/mol
LogP1.58
Rot. Bonds6

About N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide

N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide (PubChem CID 18795136) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide
PubChem CID18795136
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide
SMILESNC(=S)N/N=C(/CNC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N4OS/c18-17(23)21-20-15(14-9-5-2-6-10-14)12-19-16(22)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,19,22)(H3,18,21,23)/b20-15-
InChIKeyOQIJFEQQODKDEJ-HKWRFOASSA-N
XLogP1.58
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
N-[2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-methylpropanamide
CID 54332763
[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
CID 5359914
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide
CID 27876476
[(3-chloro-1-phenylpropylidene)amino]thiourea
CID 174499987
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea
CID 173316009
[2-(carbamothioylhydrazinylidene)-2-phenylethyl]-propan-2-ylcarbamic acid
CID 56997097
N-(2-bromoprop-2-enyl)-2-phenylacetamide
CID 115594657
[[(4-benzoylphenyl)-phenylmethylidene]amino]thiourea
CID 78165247
[4-(carbamothioylhydrazinylidene)-2-methyl-4-phenylbutyl] carbamate
CID 173311455

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide?
The IUPAC name of N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide (CID 18795136) is N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide?
The canonical SMILES for N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide is NC(=S)N/N=C(/CNC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide?
The InChIKey is OQIJFEQQODKDEJ-HKWRFOASSA-N. The full InChI is InChI=1S/C17H18N4OS/c18-17(23)21-20-15(14-9-5-2-6-10-14)12-19-16(22)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,19,22)(H3,18,21,23)/b20-15-.
What are the key properties of N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide?
N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide has a molecular weight of 326.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide is sourced from PubChem (CID 18795136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).