N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide

C14H16ClN3OS — CID 114139757

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1NN
InChIInChI=1S/C14H16ClN3OS/c1-9-8-10(2-4-12(9)18-16)14(19)17-7-6-11-3-5-13(15)20-11/h2-5,8,18H,6-7,16H2,1H3,(H,17,19)
InChIKeyDTFNZMRLORAJHK-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide (PubChem CID 114139757) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
PubChem CID114139757
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1NN
InChIInChI=1S/C14H16ClN3OS/c1-9-8-10(2-4-12(9)18-16)14(19)17-7-6-11-3-5-13(15)20-11/h2-5,8,18H,6-7,16H2,1H3,(H,17,19)
InChIKeyDTFNZMRLORAJHK-UHFFFAOYSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
4-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbenzamide
CID 63211606
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
CID 103863673
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide (CID 114139757) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)NCCc2ccc(Cl)s2)ccc1NN.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
The InChIKey is DTFNZMRLORAJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9-8-10(2-4-12(9)18-16)14(19)17-7-6-11-3-5-13(15)20-11/h2-5,8,18H,6-7,16H2,1H3,(H,17,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide has a molecular weight of 309.82 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 114139757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).