N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide

C16H16Cl2N2O2S — CID 57002219

IUPACN-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1
InChIInChI=1S/C16H16Cl2N2O2S/c1-16(2,3)20(15(22)13-5-4-8-23-13)19-14(21)10-6-7-11(17)12(18)9-10/h4-9H,1-3H3,(H,19,21)
InChIKeyNJWYIYZJFHSQPK-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.64
Rot. Bonds2

About N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide

N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide (PubChem CID 57002219) has the molecular formula C16H16Cl2N2O2S and a molecular weight of 371.29 g/mol. Its IUPAC name is N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
PubChem CID57002219
Molecular FormulaC16H16Cl2N2O2S
Molecular Weight371.29 g/mol
Exact Mass370.03
IUPAC NameN-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1
InChIInChI=1S/C16H16Cl2N2O2S/c1-16(2,3)20(15(22)13-5-4-8-23-13)19-14(21)10-6-7-11(17)12(18)9-10/h4-9H,1-3H3,(H,19,21)
InChIKeyNJWYIYZJFHSQPK-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide (CID 57002219) is N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide is CC(C)(C)N(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1.
What is the InChIKey of N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is NJWYIYZJFHSQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2S/c1-16(2,3)20(15(22)13-5-4-8-23-13)19-14(21)10-6-7-11(17)12(18)9-10/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide?
N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 371.29 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(3,4-dichlorobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 57002219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).