N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

C17H24N2O2S — CID 11941115

IUPACN'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1C
InChIInChI=1S/C17H24N2O2S/c1-3-14-10(2)6-15(22-14)17(21)19-18-16(20)9-13-8-11-4-5-12(13)7-11/h6,11-13H,3-5,7-9H2,1-2H3,(H,18,20)(H,19,21)/t11-,12+,13+/m0/s1
InChIKeyBHLNXORLFBYBSZ-YNEHKIRRSA-N
MW320.46 g/mol
LogP3.21
Rot. Bonds4

About N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide

N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (PubChem CID 11941115) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
PubChem CID11941115
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1C
InChIInChI=1S/C17H24N2O2S/c1-3-14-10(2)6-15(22-14)17(21)19-18-16(20)9-13-8-11-4-5-12(13)7-11/h6,11-13H,3-5,7-9H2,1-2H3,(H,18,20)(H,19,21)/t11-,12+,13+/m0/s1
InChIKeyBHLNXORLFBYBSZ-YNEHKIRRSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 46656583
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 43054046
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-4-ethylbenzohydrazide
CID 11906552
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 11914356
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 98404536
3-[[[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 11944467
(1R,2R,3R,4R)-3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124840295
(1R,2R,3S,4R)-3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124840296
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-ethylphenyl)acetamide
CID 7923830
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18557265

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide (CID 11941115) is N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1C.
What is the InChIKey of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
The InChIKey is BHLNXORLFBYBSZ-YNEHKIRRSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-14-10(2)6-15(22-14)17(21)19-18-16(20)9-13-8-11-4-5-12(13)7-11/h6,11-13H,3-5,7-9H2,1-2H3,(H,18,20)(H,19,21)/t11-,12+,13+/m0/s1.
What are the key properties of N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide?
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide has a molecular weight of 320.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 11941115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).