N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C17H18N2O3S — CID 27684469

IUPACN'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C17H18N2O3S/c1-11-4-2-6-13(8-11)22-10-16(20)18-19-17(21)15-9-12-5-3-7-14(12)23-15/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyROBXIMDZIXGICZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.39
Rot. Bonds4

About N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 27684469) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID27684469
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2cc3c(s2)CCC3)c1
InChIInChI=1S/C17H18N2O3S/c1-11-4-2-6-13(8-11)22-10-16(20)18-19-17(21)15-9-12-5-3-7-14(12)23-15/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyROBXIMDZIXGICZ-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.39
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'-(2-naphthalen-2-yloxyacetyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684541
N'-[2-(4-ethoxyphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 26872848
N'-[2-(4-methoxyphenoxy)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24643149
5-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-propylthiophene-2-carbohydrazide
CID 24538754
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 26872673
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
N'-(3-methoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9441649
N'-[2-(3-fluorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684200
2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)-3-methylphenoxy]acetic acid
CID 119231370
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 27684469) is N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2cc3c(s2)CCC3)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is ROBXIMDZIXGICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-4-2-6-13(8-11)22-10-16(20)18-19-17(21)15-9-12-5-3-7-14(12)23-15/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 330.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 27684469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).