N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide

C19H17N3O2S — CID 78813996

IUPACN'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C(Sc1ccccc1)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C19H17N3O2S/c23-18(16-12-7-13-20-16)21-22-19(24)17(14-8-3-1-4-9-14)25-15-10-5-2-6-11-15/h1-13,17,20H,(H,21,23)(H,22,24)
InChIKeyBUTQOWRWMCPPQX-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.31
Rot. Bonds5

About N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide

N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78813996) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78813996
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)C(Sc1ccccc1)c1ccccc1)c1ccc[nH]1
InChIInChI=1S/C19H17N3O2S/c23-18(16-12-7-13-20-16)21-22-19(24)17(14-8-3-1-4-9-14)25-15-10-5-2-6-11-15/h1-13,17,20H,(H,21,23)(H,22,24)
InChIKeyBUTQOWRWMCPPQX-UHFFFAOYSA-N
XLogP3.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-dichloroacetyl)-1H-pyrrole-2-carbohydrazide
CID 12587939
N'-[(2S)-2-phenyl-2-phenylsulfanylacetyl]thiophene-2-carbohydrazide
CID 7600839
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide
CID 7600611
1-(3-methoxypropyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 2956623
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
N-[1-oxo-3-phenyl-1-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]propan-2-yl]benzamide
CID 78813995
1-(2-chlorophenyl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 17374997

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide (CID 78813996) is N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)C(Sc1ccccc1)c1ccccc1)c1ccc[nH]1.
What is the InChIKey of N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is BUTQOWRWMCPPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(16-12-7-13-20-16)21-22-19(24)17(14-8-3-1-4-9-14)25-15-10-5-2-6-11-15/h1-13,17,20H,(H,21,23)(H,22,24).
What are the key properties of N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide?
N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 351.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenyl-2-phenylsulfanylacetyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78813996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).