N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide

C17H18BrN3O3S — CID 55350905

IUPACN'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)CSc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrN3O3S/c1-24-14-6-4-13(5-7-14)19-10-16(22)20-21-17(23)11-25-15-8-2-12(18)3-9-15/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeySTRYLTMKPMIKFO-UHFFFAOYSA-N
MW424.32 g/mol
LogP2.81
Rot. Bonds7

About N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide

N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide (PubChem CID 55350905) has the molecular formula C17H18BrN3O3S and a molecular weight of 424.32 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide
PubChem CID55350905
Molecular FormulaC17H18BrN3O3S
Molecular Weight424.32 g/mol
Exact Mass423.03
IUPAC NameN'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)CSc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrN3O3S/c1-24-14-6-4-13(5-7-14)19-10-16(22)20-21-17(23)11-25-15-8-2-12(18)3-9-15/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeySTRYLTMKPMIKFO-UHFFFAOYSA-N
XLogP2.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.32
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
2-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005350
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-[2-(4-methoxyanilino)acetyl]butanehydrazide
CID 55497012
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 8617463
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 23765637
ethane;methyl 2-(4-bromophenyl)sulfanylacetate
CID 143770591
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide?
The IUPAC name of N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide (CID 55350905) is N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide is COc1ccc(NCC(=O)NNC(=O)CSc2ccc(Br)cc2)cc1.
What is the InChIKey of N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide?
The InChIKey is STRYLTMKPMIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3S/c1-24-14-6-4-13(5-7-14)19-10-16(22)20-21-17(23)11-25-15-8-2-12(18)3-9-15/h2-9,19H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide?
N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide has a molecular weight of 424.32 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)sulfanylacetyl]-2-(4-methoxyanilino)acetohydrazide is sourced from PubChem (CID 55350905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).