2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide

C24H23N3O5S — CID 26872673

IUPAC2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)c1
InChIInChI=1S/C24H23N3O5S/c1-31-19-6-3-5-17(13-19)25-22(28)14-32-18-10-8-15(9-11-18)23(29)26-27-24(30)21-12-16-4-2-7-20(16)33-21/h3,5-6,8-13H,2,4,7,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyFWISXDIAHRTVRL-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.34
Rot. Bonds7

About 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide

2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide (PubChem CID 26872673) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
PubChem CID26872673
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)c1
InChIInChI=1S/C24H23N3O5S/c1-31-19-6-3-5-17(13-19)25-22(28)14-32-18-10-8-15(9-11-18)23(29)26-27-24(30)21-12-16-4-2-7-20(16)33-21/h3,5-6,8-13H,2,4,7,14H2,1H3,(H,25,28)(H,26,29)(H,27,30)
InChIKeyFWISXDIAHRTVRL-UHFFFAOYSA-N
XLogP3.34
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-methoxyphenoxy)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24643149
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 8714146
N'-(3-methoxybenzoyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9441649
N'-[2-(3-methylphenoxy)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684469
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616
N'-(2-naphthalen-2-yloxyacetyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684541
methyl 3-[[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]oxymethyl]benzoate
CID 29405129
N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 26880186
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide (CID 26872673) is 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)c1.
What is the InChIKey of 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
The InChIKey is FWISXDIAHRTVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-31-19-6-3-5-17(13-19)25-22(28)14-32-18-10-8-15(9-11-18)23(29)26-27-24(30)21-12-16-4-2-7-20(16)33-21/h3,5-6,8-13H,2,4,7,14H2,1H3,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide?
2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide has a molecular weight of 465.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 26872673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).