N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide

C19H19N3O3S — CID 10714147

IUPACN-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1sc(NC(=O)COc2ccc3ccccc3c2)c(C(=O)NN)c1C
InChIInChI=1S/C19H19N3O3S/c1-11-12(2)26-19(17(11)18(24)22-20)21-16(23)10-25-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOWAFVOOFZXDWIJ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.14
Rot. Bonds5

About N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide

N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 10714147) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID10714147
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCc1sc(NC(=O)COc2ccc3ccccc3c2)c(C(=O)NN)c1C
InChIInChI=1S/C19H19N3O3S/c1-11-12(2)26-19(17(11)18(24)22-20)21-16(23)10-25-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOWAFVOOFZXDWIJ-UHFFFAOYSA-N
XLogP3.14
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4,5-dimethyl-2-[(2-naphthalen-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 5071821
ethyl 4,5-dimethyl-2-[[2-(2-naphthalen-2-yloxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4242634
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56501423
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
2-[[2-(4-chlorophenoxy)acetyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
CID 7520955
methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-naphthalen-2-yloxyacetyl)amino]thiophene-3-carboxylate
CID 4620442
ethyl 4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 16849358
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
ethyl N-[2-methyl-3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]carbamate
CID 87043151

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide (CID 10714147) is N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide is Cc1sc(NC(=O)COc2ccc3ccccc3c2)c(C(=O)NN)c1C.
What is the InChIKey of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is OWAFVOOFZXDWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-12(2)26-19(17(11)18(24)22-20)21-16(23)10-25-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 10714147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).