N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide

C16H19N3O6S2 — CID 55914783

IUPACN-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)NS(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H19N3O6S2/c1-10(19-27(22,23)14-5-4-8-26-14)15(20)17-18-16(21)11-6-7-12(24-2)13(9-11)25-3/h4-10,19H,1-3H3,(H,17,20)(H,18,21)
InChIKeyIIDIGCNDHYRZPW-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.89
Rot. Bonds7

About N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide

N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide (PubChem CID 55914783) has the molecular formula C16H19N3O6S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
PubChem CID55914783
Molecular FormulaC16H19N3O6S2
Molecular Weight413.48 g/mol
Exact Mass413.07
IUPAC NameN-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)NS(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H19N3O6S2/c1-10(19-27(22,23)14-5-4-8-26-14)15(20)17-18-16(21)11-6-7-12(24-2)13(9-11)25-3/h4-10,19H,1-3H3,(H,17,20)(H,18,21)
InChIKeyIIDIGCNDHYRZPW-UHFFFAOYSA-N
XLogP0.89
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.89
H-Bond Donors ≤ 53
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-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
N-[1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]thiophene-2-sulfonamide
CID 55913380
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928308
3-(3,4-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 45468993
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55962464
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 7028776
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide (CID 55914783) is N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide is COc1ccc(C(=O)NNC(=O)C(C)NS(=O)(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is IIDIGCNDHYRZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S2/c1-10(19-27(22,23)14-5-4-8-26-14)15(20)17-18-16(21)11-6-7-12(24-2)13(9-11)25-3/h4-10,19H,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 413.48 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 55914783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).