2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide

C21H20N2O3S — CID 7600611

IUPAC2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C)o1
InChIInChI=1S/C21H20N2O3S/c1-14-13-18(15(2)26-14)20(24)22-23-21(25)19(16-9-5-3-6-10-16)27-17-11-7-4-8-12-17/h3-13,19H,1-2H3,(H,22,24)(H,23,25)/t19-/m1/s1
InChIKeyWWHDFIIGFKNKSE-LJQANCHMSA-N
MW380.47 g/mol
LogP4.19
Rot. Bonds5

About 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide (PubChem CID 7600611) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide
PubChem CID7600611
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C)o1
InChIInChI=1S/C21H20N2O3S/c1-14-13-18(15(2)26-14)20(24)22-23-21(25)19(16-9-5-3-6-10-16)27-17-11-7-4-8-12-17/h3-13,19H,1-2H3,(H,22,24)(H,23,25)/t19-/m1/s1
InChIKeyWWHDFIIGFKNKSE-LJQANCHMSA-N
XLogP4.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
CID 134006560
N'-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetohydrazide
CID 42888617
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
N'-[(2S)-2-phenyl-2-phenylsulfanylacetyl]thiophene-2-carbohydrazide
CID 7600839
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide (CID 7600611) is 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide?
The InChIKey is WWHDFIIGFKNKSE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-13-18(15(2)26-14)20(24)22-23-21(25)19(16-9-5-3-6-10-16)27-17-11-7-4-8-12-17/h3-13,19H,1-2H3,(H,22,24)(H,23,25)/t19-/m1/s1.
What are the key properties of 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide has a molecular weight of 380.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide is sourced from PubChem (CID 7600611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).