N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide

C21H21N3O5S2 — CID 55913380

IUPACN-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C21H21N3O5S2/c1-15(24-31(27,28)20-12-7-13-30-20)21(26)23-22-19(25)14-29-18-11-6-5-10-17(18)16-8-3-2-4-9-16/h2-13,15,24H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyFCYDQWXBWLULCW-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.31
Rot. Bonds8

About N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide

N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide (PubChem CID 55913380) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide
PubChem CID55913380
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC NameN-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cccs1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C21H21N3O5S2/c1-15(24-31(27,28)20-12-7-13-30-20)21(26)23-22-19(25)14-29-18-11-6-5-10-17(18)16-8-3-2-4-9-16/h2-13,15,24H,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyFCYDQWXBWLULCW-UHFFFAOYSA-N
XLogP2.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.31
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

2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 78771942
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N'-[2-(2-phenylphenoxy)acetyl]-2-thiophen-2-ylacetohydrazide
CID 7978348
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate
CID 47985288
N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 55914783
[(2S,3S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]urea
CID 7613261
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067
(2S)-2-phenyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 7978392
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide (CID 55913380) is N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cccs1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is FCYDQWXBWLULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-15(24-31(27,28)20-12-7-13-30-20)21(26)23-22-19(25)14-29-18-11-6-5-10-17(18)16-8-3-2-4-9-16/h2-13,15,24H,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide?
N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 459.55 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 55913380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).