4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide

C21H24N2O2S — CID 1043365

IUPAC4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCC3)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-8-10-15(11-9-14)19(24)22-20-18(16-6-5-7-17(16)26-20)21(25)23-12-3-2-4-13-23/h8-11H,2-7,12-13H2,1H3,(H,22,24)
InChIKeyNYZZDFRTJCFCCK-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.42
Rot. Bonds3

About 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide

4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (PubChem CID 1043365) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
PubChem CID1043365
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESCc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCC3)cc1
InChIInChI=1S/C21H24N2O2S/c1-14-8-10-15(11-9-14)19(24)22-20-18(16-6-5-7-17(16)26-20)21(25)23-12-3-2-4-13-23/h8-11H,2-7,12-13H2,1H3,(H,22,24)
InChIKeyNYZZDFRTJCFCCK-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidine-4-carboxamide
CID 3901884
4-methyl-N-[(6S)-6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 1037537
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide
CID 1043329
1-(2-hydroxy-5-methylphenyl)-3-[3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiourea
CID 17285020
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 2077563
propan-2-yl 2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5191274
N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide
CID 17451681
2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 827845
methyl 2-[[4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3374203
N-[6-tert-butyl-3-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide
CID 4128910
N-[6-tert-butyl-3-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-methylbenzamide
CID 3590338

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (CID 1043365) is 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is Cc1ccc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CCC3)cc1.
What is the InChIKey of 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The InChIKey is NYZZDFRTJCFCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14-8-10-15(11-9-14)19(24)22-20-18(16-6-5-7-17(16)26-20)21(25)23-12-3-2-4-13-23/h8-11H,2-7,12-13H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide has a molecular weight of 368.50 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is sourced from PubChem (CID 1043365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).