N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C22H20N2O2S2 — CID 4061084

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)nc1
InChIInChI=1S/C22H20N2O2S2/c1-13-8-9-20(23-12-13)24(21(25)18-10-14-4-2-6-16(14)27-18)22(26)19-11-15-5-3-7-17(15)28-19/h8-12H,2-7H2,1H3
InChIKeyHYBJGSMCVDQMFG-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.98
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 4061084) has the molecular formula C22H20N2O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID4061084
Molecular FormulaC22H20N2O2S2
Molecular Weight408.55 g/mol
Exact Mass408.10
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)nc1
InChIInChI=1S/C22H20N2O2S2/c1-13-8-9-20(23-12-13)24(21(25)18-10-14-4-2-6-16(14)27-18)22(26)19-11-15-5-3-7-17(15)28-19/h8-12H,2-7H2,1H3
InChIKeyHYBJGSMCVDQMFG-UHFFFAOYSA-N
XLogP4.98
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(5-methyl-3-pyridinyl)methanone
CID 115791727
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 114963218
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004
2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 115801067
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18104437
ethyl 2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(methyl)amino]acetate
CID 55003287
N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 48735497
N-(1H-imidazol-2-ylmethyl)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 63939663
N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
3-[tert-butyl(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)amino]propanoic acid
CID 60827465
N-[(4-fluorophenyl)methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112792541

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 4061084) is N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is Cc1ccc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)nc1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is HYBJGSMCVDQMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S2/c1-13-8-9-20(23-12-13)24(21(25)18-10-14-4-2-6-16(14)27-18)22(26)19-11-15-5-3-7-17(15)28-19/h8-12H,2-7H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 4061084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).