N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C21H17N3O5S — CID 31057380

IUPACN-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H17N3O5S/c25-19(14-8-9-15-16(11-14)29-12-28-15)23-24-21(27)18(13-5-2-1-3-6-13)22-20(26)17-7-4-10-30-17/h1-11,18H,12H2,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1
InChIKeyRDOLKCHEFOZIMM-SFHVURJKSA-N
MW423.45 g/mol
LogP2.41
Rot. Bonds5

About N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 31057380) has the molecular formula C21H17N3O5S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID31057380
Molecular FormulaC21H17N3O5S
Molecular Weight423.45 g/mol
Exact Mass423.09
IUPAC NameN-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H17N3O5S/c25-19(14-8-9-15-16(11-14)29-12-28-15)23-24-21(27)18(13-5-2-1-3-6-13)22-20(26)17-7-4-10-30-17/h1-11,18H,12H2,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1
InChIKeyRDOLKCHEFOZIMM-SFHVURJKSA-N
XLogP2.41
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-thiophen-2-yl-1,3-benzodioxole-5-carbohydrazide
CID 123140654
N-[(1S)-2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 31057394
(2R)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-N-(4-methylphenyl)-2-phenylacetamide
CID 8761063
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662283
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110348403
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 9168936
methyl (3R)-3-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoate
CID 41099386
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 3662450
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 31057380) is N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is O=C(NNC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is RDOLKCHEFOZIMM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17N3O5S/c25-19(14-8-9-15-16(11-14)29-12-28-15)23-24-21(27)18(13-5-2-1-3-6-13)22-20(26)17-7-4-10-30-17/h1-11,18H,12H2,(H,22,26)(H,23,25)(H,24,27)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 31057380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).