2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide

C18H20N4O3S — CID 139219844

IUPAC2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide
SMILESCOc1cccc(/C(CSCC(=O)Nc2ccccc2)=N\NC(N)=O)c1
InChIInChI=1S/C18H20N4O3S/c1-25-15-9-5-6-13(10-15)16(21-22-18(19)24)11-26-12-17(23)20-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,23)(H3,19,22,24)/b21-16-
InChIKeyGEOWWHBRGXOWLR-PGMHBOJBSA-N
MW372.45 g/mol
LogP2.44
Rot. Bonds8

About 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide

2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide (PubChem CID 139219844) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide
PubChem CID139219844
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide
SMILESCOc1cccc(/C(CSCC(=O)Nc2ccccc2)=N\NC(N)=O)c1
InChIInChI=1S/C18H20N4O3S/c1-25-15-9-5-6-13(10-15)16(21-22-18(19)24)11-26-12-17(23)20-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,23)(H3,19,22,24)/b21-16-
InChIKeyGEOWWHBRGXOWLR-PGMHBOJBSA-N
XLogP2.44
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
CID 66231284
2-[[4-amino-5-[(2Z)-2-(1-phenylpropylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 17076193
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
CID 71097759
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide (CID 139219844) is 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide is COc1cccc(/C(CSCC(=O)Nc2ccccc2)=N\NC(N)=O)c1.
What is the InChIKey of 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide?
The InChIKey is GEOWWHBRGXOWLR-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-25-15-9-5-6-13(10-15)16(21-22-18(19)24)11-26-12-17(23)20-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,23)(H3,19,22,24)/b21-16-.
What are the key properties of 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide?
2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(carbamoylhydrazinylidene)-2-(3-methoxyphenyl)ethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 139219844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).