5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide

C17H16BrN3O3S — CID 30756356

IUPAC5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C17H16BrN3O3S/c18-14-8-7-13(25-14)17(24)20-19-16(23)12-5-3-11(4-6-12)10-21-9-1-2-15(21)22/h3-8H,1-2,9-10H2,(H,19,23)(H,20,24)
InChIKeyZWNQOUOWACJHGT-UHFFFAOYSA-N
MW422.30 g/mol
LogP2.71
Rot. Bonds4

About 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide

5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide (PubChem CID 30756356) has the molecular formula C17H16BrN3O3S and a molecular weight of 422.30 g/mol. Its IUPAC name is 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide
PubChem CID30756356
Molecular FormulaC17H16BrN3O3S
Molecular Weight422.30 g/mol
Exact Mass421.01
IUPAC Name5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C17H16BrN3O3S/c18-14-8-7-13(25-14)17(24)20-19-16(23)12-5-3-11(4-6-12)10-21-9-1-2-15(21)22/h3-8H,1-2,9-10H2,(H,19,23)(H,20,24)
InChIKeyZWNQOUOWACJHGT-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 52.71
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-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198051
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 55377578
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide (CID 30756356) is 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccc(Br)s1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide?
The InChIKey is ZWNQOUOWACJHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S/c18-14-8-7-13(25-14)17(24)20-19-16(23)12-5-3-11(4-6-12)10-21-9-1-2-15(21)22/h3-8H,1-2,9-10H2,(H,19,23)(H,20,24).
What are the key properties of 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide?
5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide has a molecular weight of 422.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 30756356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).