N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide

C19H17FN2O3S — CID 9091776

IUPACN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)sc2ccccc12
InChIInChI=1S/C19H17FN2O3S/c1-11-15-5-3-4-6-16(15)26-17(11)19(24)22-21-18(23)12(2)25-14-9-7-13(20)8-10-14/h3-10,12H,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyRLFGPSMBRYUXGG-LBPRGKRZSA-N
MW372.42 g/mol
LogP3.58
Rot. Bonds4

About N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide

N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide (PubChem CID 9091776) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
PubChem CID9091776
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC NameN'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)sc2ccccc12
InChIInChI=1S/C19H17FN2O3S/c1-11-15-5-3-4-6-16(15)26-17(11)19(24)22-21-18(23)12(2)25-14-9-7-13(20)8-10-14/h3-10,12H,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1
InChIKeyRLFGPSMBRYUXGG-LBPRGKRZSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.58
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

N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9088688
3-chloro-N'-[2-(4-chlorophenoxy)propanoyl]-1-benzothiophene-2-carbohydrazide
CID 4944160
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-methyl-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9091765
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
2-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 46429594
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9091705
N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9086470
3-ethyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7965300
2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide (CID 9091776) is N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide is Cc1c(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)sc2ccccc12.
What is the InChIKey of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is RLFGPSMBRYUXGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-11-15-5-3-4-6-16(15)26-17(11)19(24)22-21-18(23)12(2)25-14-9-7-13(20)8-10-14/h3-10,12H,1-2H3,(H,21,23)(H,22,24)/t12-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 372.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 9091776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).