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

C22H26N2O2S — CID 2919642

IUPAC2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCC(C)C1)CCC2
InChIInChI=1S/C22H26N2O2S/c1-14-7-6-12-24(13-14)22(26)19-17-10-5-11-18(17)27-21(19)23-20(25)16-9-4-3-8-15(16)2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,23,25)
InChIKeyACMOMDKFBYHODP-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.67
Rot. Bonds3

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

2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (PubChem CID 2919642) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
PubChem CID2919642
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCC(C)C1)CCC2
InChIInChI=1S/C22H26N2O2S/c1-14-7-6-12-24(13-14)22(26)19-17-10-5-11-18(17)27-21(19)23-20(25)16-9-4-3-8-15(16)2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,23,25)
InChIKeyACMOMDKFBYHODP-UHFFFAOYSA-N
XLogP4.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 2898001
N-methyl-2-[(2-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 745132
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide
CID 1043329
N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide
CID 2898552
methyl N-[2-[(2-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate
CID 7521612
4-methyl-N-[3-(piperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
CID 1043365
2-[(2-methylbenzoyl)amino]-N-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4545302
N-[6-tert-butyl-3-(2-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide
CID 4650865
N-[(6S)-3-(4-benzylpiperazine-1-carbonyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylbenzamide
CID 28924971
methyl 2-[(3-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4514175
ethyl 3-carbamoyl-2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3320130

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide (CID 2919642) is 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCCC(C)C1)CCC2.
What is the InChIKey of 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
The InChIKey is ACMOMDKFBYHODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-14-7-6-12-24(13-14)22(26)19-17-10-5-11-18(17)27-21(19)23-20(25)16-9-4-3-8-15(16)2/h3-4,8-9,14H,5-7,10-13H2,1-2H3,(H,23,25).
What are the key properties of 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide?
2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide has a molecular weight of 382.53 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(3-methylpiperidine-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide is sourced from PubChem (CID 2919642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).