N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide

C16H17ClN2O2S2 — CID 26854197

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C16H17ClN2O2S2/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-6-4-12(17)5-7-13/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKTWKBCYIPYSBAZ-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.83
Rot. Bonds5

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide (PubChem CID 26854197) has the molecular formula C16H17ClN2O2S2 and a molecular weight of 368.91 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
PubChem CID26854197
Molecular FormulaC16H17ClN2O2S2
Molecular Weight368.91 g/mol
Exact Mass368.04
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)sc1C
InChIInChI=1S/C16H17ClN2O2S2/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-6-4-12(17)5-7-13/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKTWKBCYIPYSBAZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide
CID 9417913
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801038
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7601142
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
1-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(2,4,6-trichlorophenyl)urea
CID 134102372
N'-(2,4-dimethylbenzoyl)-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7600498
2-(4-chlorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 735121
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418304
4-chloro-N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]benzohydrazide
CID 40544516
5-[2-[2-(4-chlorophenyl)sulfanylacetyl]hydrazinyl]-5-oxo-N,N-dipropylpentanamide
CID 56550200

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide (CID 26854197) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide is CCc1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)sc1C.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
The InChIKey is KTWKBCYIPYSBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S2/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-6-4-12(17)5-7-13/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide has a molecular weight of 368.91 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 26854197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).