2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide

C21H27N3O6S2 — CID 55343903

IUPAC2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-3-29-16-6-8-17(9-7-16)30-15(2)21(26)23-22-19(25)14-18-10-11-20(31-18)32(27,28)24-12-4-5-13-24/h6-11,15H,3-5,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMICKROUMJGFMFB-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.09
Rot. Bonds9

About 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide

2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide (PubChem CID 55343903) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide
PubChem CID55343903
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-3-29-16-6-8-17(9-7-16)30-15(2)21(26)23-22-19(25)14-18-10-11-20(31-18)32(27,28)24-12-4-5-13-24/h6-11,15H,3-5,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMICKROUMJGFMFB-UHFFFAOYSA-N
XLogP2.09
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55599936
N-[4-(difluoromethoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 7941191
N-(5-chloro-2-ethoxyphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55888632
(2R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(3-chlorophenoxy)propanamide
CID 95086831
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55591099
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N-(2-propan-2-ylphenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 37133311
N-(3-aminobutyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119497975
N-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 51155075
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
N-methoxy-N-methyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 47097885

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide (CID 55343903) is 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide is CCOc1ccc(OC(C)C(=O)NNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide?
The InChIKey is MICKROUMJGFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-3-29-16-6-8-17(9-7-16)30-15(2)21(26)23-22-19(25)14-18-10-11-20(31-18)32(27,28)24-12-4-5-13-24/h6-11,15H,3-5,12-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide?
2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide has a molecular weight of 481.60 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N'-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]propanehydrazide is sourced from PubChem (CID 55343903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).