3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide

C22H23N3O4S — CID 55831825

IUPAC3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NNC(=O)CNc1ccccc1OC
InChIInChI=1S/C22H23N3O4S/c1-3-29-18-13-19(15-9-5-4-6-10-15)30-21(18)22(27)25-24-20(26)14-23-16-11-7-8-12-17(16)28-2/h4-13,23H,3,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeySYVREHCSBNIAJY-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.70
Rot. Bonds8

About 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide

3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide (PubChem CID 55831825) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide
PubChem CID55831825
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide
SMILESCCOc1cc(-c2ccccc2)sc1C(=O)NNC(=O)CNc1ccccc1OC
InChIInChI=1S/C22H23N3O4S/c1-3-29-18-13-19(15-9-5-4-6-10-15)30-21(18)22(27)25-24-20(26)14-23-16-11-7-8-12-17(16)28-2/h4-13,23H,3,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeySYVREHCSBNIAJY-UHFFFAOYSA-N
XLogP3.70
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 46494690
3-ethoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-phenylthiophene-2-carboxamide
CID 55793294
2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide
CID 55791205
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55851805
3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
CID 55796192
3-ethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-phenylthiophene-2-carboxamide
CID 55792504
N-(4-aminocyclohexyl)-3-ethoxy-5-phenylthiophene-2-carboxamide;hydrochloride
CID 119474680
3-ethoxy-5-phenyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119449775
3-ethoxy-N-[2-(furan-2-yl)ethyl]-5-phenylthiophene-2-carboxamide
CID 55792612
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 119455398
methyl 5-phenyl-3-phenylmethoxythiophene-2-carboxylate
CID 14154188
N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 71848991

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide?
The IUPAC name of 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide (CID 55831825) is 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide.
What is the SMILES notation for 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide?
The canonical SMILES for 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide is CCOc1cc(-c2ccccc2)sc1C(=O)NNC(=O)CNc1ccccc1OC.
What is the InChIKey of 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide?
The InChIKey is SYVREHCSBNIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-3-29-18-13-19(15-9-5-4-6-10-15)30-21(18)22(27)25-24-20(26)14-23-16-11-7-8-12-17(16)28-2/h4-13,23H,3,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide?
3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide has a molecular weight of 425.51 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N'-[2-(2-methoxyanilino)acetyl]-5-phenylthiophene-2-carbohydrazide is sourced from PubChem (CID 55831825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).