N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide

C15H12ClN3O3S — CID 713425

IUPACN'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
SMILESO=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1
InChIInChI=1S/C15H12ClN3O3S/c16-9-3-1-4-10(7-9)19-13(20)8-11(15(19)22)17-18-14(21)12-5-2-6-23-12/h1-7,11,17H,8H2,(H,18,21)/t11-/m0/s1
InChIKeyUPDGVHLBKRCCFQ-NSHDSACASA-N
MW349.80 g/mol
LogP1.97
Rot. Bonds4

About N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide

N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide (PubChem CID 713425) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
PubChem CID713425
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
SMILESO=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1
InChIInChI=1S/C15H12ClN3O3S/c16-9-3-1-4-10(7-9)19-13(20)8-11(15(19)22)17-18-14(21)12-5-2-6-23-12/h1-7,11,17H,8H2,(H,18,21)/t11-/m0/s1
InChIKeyUPDGVHLBKRCCFQ-NSHDSACASA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide (CID 713425) is N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide is O=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1.
What is the InChIKey of N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The InChIKey is UPDGVHLBKRCCFQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-9-3-1-4-10(7-9)19-13(20)8-11(15(19)22)17-18-14(21)12-5-2-6-23-12/h1-7,11,17H,8H2,(H,18,21)/t11-/m0/s1.
What are the key properties of N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide has a molecular weight of 349.80 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide is sourced from PubChem (CID 713425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).