N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide

C14H16ClN3OS — CID 63211741

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)s2)ccc1NN
InChIInChI=1S/C14H16ClN3OS/c1-8-7-10(3-4-11(8)18-16)14(19)17-9(2)12-5-6-13(15)20-12/h3-7,9,18H,16H2,1-2H3,(H,17,19)
InChIKeyKCXOGNCNKCMRQF-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.49
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide (PubChem CID 63211741) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
PubChem CID63211741
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)s2)ccc1NN
InChIInChI=1S/C14H16ClN3OS/c1-8-7-10(3-4-11(8)18-16)14(19)17-9(2)12-5-6-13(15)20-12/h3-7,9,18H,16H2,1-2H3,(H,17,19)
InChIKeyKCXOGNCNKCMRQF-UHFFFAOYSA-N
XLogP3.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.49
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

2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 65349581
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 71938396
N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
CID 63838974
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
CID 39271617
5-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296251
4-hydrazinyl-3-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 63212800
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 95158199
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide (CID 63211741) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)NC(C)c2ccc(Cl)s2)ccc1NN.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
The InChIKey is KCXOGNCNKCMRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-8-7-10(3-4-11(8)18-16)14(19)17-9(2)12-5-6-13(15)20-12/h3-7,9,18H,16H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide has a molecular weight of 309.82 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63211741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).