N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide

C16H15ClN2O3S2 — CID 34056452

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S2/c17-11-3-5-12(6-4-11)24-10-16(22)19-18-15(21)8-7-13(20)14-2-1-9-23-14/h1-6,9H,7-8,10H2,(H,18,21)(H,19,22)
InChIKeyDKZFRINVRADSKV-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.30
Rot. Bonds7

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide (PubChem CID 34056452) has the molecular formula C16H15ClN2O3S2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
PubChem CID34056452
Molecular FormulaC16H15ClN2O3S2
Molecular Weight382.89 g/mol
Exact Mass382.02
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O3S2/c17-11-3-5-12(6-4-11)24-10-16(22)19-18-15(21)8-7-13(20)14-2-1-9-23-14/h1-6,9H,7-8,10H2,(H,18,21)(H,19,22)
InChIKeyDKZFRINVRADSKV-UHFFFAOYSA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide
CID 4792638
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2531583
N-[1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 42956084
N-[(1S)-1-(4-chlorophenyl)ethyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 39920108
N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
CID 56785076
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7501191
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19631271
1-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-phenylthiourea
CID 22830769
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide (CID 34056452) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide is O=C(CCC(=O)c1cccs1)NNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The InChIKey is DKZFRINVRADSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S2/c17-11-3-5-12(6-4-11)24-10-16(22)19-18-15(21)8-7-13(20)14-2-1-9-23-14/h1-6,9H,7-8,10H2,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide has a molecular weight of 382.89 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide is sourced from PubChem (CID 34056452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).