N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide

C19H15BrN2O3S — CID 78829710

IUPACN'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1occc1CSc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3S/c20-15-8-6-13(7-9-15)18(23)21-22-19(24)17-14(10-11-25-17)12-26-16-4-2-1-3-5-16/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyDWBJEKFQDQHXMK-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.41
Rot. Bonds5

About N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide

N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide (PubChem CID 78829710) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
PubChem CID78829710
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC NameN'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1occc1CSc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN2O3S/c20-15-8-6-13(7-9-15)18(23)21-22-19(24)17-14(10-11-25-17)12-26-16-4-2-1-3-5-16/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyDWBJEKFQDQHXMK-UHFFFAOYSA-N
XLogP4.41
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.41
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'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
3-(phenylsulfanylmethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-2-carboxamide
CID 112815046
N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 78861185
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63580715
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 119512463
4-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542092
N-[(2,3-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78851820

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide (CID 78829710) is N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide is O=C(NNC(=O)c1occc1CSc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide?
The InChIKey is DWBJEKFQDQHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c20-15-8-6-13(7-9-15)18(23)21-22-19(24)17-14(10-11-25-17)12-26-16-4-2-1-3-5-16/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide?
N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide has a molecular weight of 431.31 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 78829710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).