N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

C21H32N2O2S — CID 155770366

IUPACN-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCC1CCCC1(CNC(=O)c1cc2c(s1)CCCCCC2)C(=O)N(C)C
InChIInChI=1S/C21H32N2O2S/c1-15-9-8-12-21(15,20(25)23(2)3)14-22-19(24)18-13-16-10-6-4-5-7-11-17(16)26-18/h13,15H,4-12,14H2,1-3H3,(H,22,24)
InChIKeyAJKHKAVTMCZJDU-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.03
Rot. Bonds4

About N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide

N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (PubChem CID 155770366) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
PubChem CID155770366
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
SMILESCC1CCCC1(CNC(=O)c1cc2c(s1)CCCCCC2)C(=O)N(C)C
InChIInChI=1S/C21H32N2O2S/c1-15-9-8-12-21(15,20(25)23(2)3)14-22-19(24)18-13-16-10-6-4-5-7-11-17(16)26-18/h13,15H,4-12,14H2,1-3H3,(H,22,24)
InChIKeyAJKHKAVTMCZJDU-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119404697
N-[[1-(bromomethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115456439
N-[(3-methyloxetan-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78957753
N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17249265
N-[[1-(azetidin-1-ylmethyl)cyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 155770317
N-[[2-(bromomethyl)cyclohexyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 114317527
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 120890583
N-(2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43389911
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-[1-(bromomethyl)-3-methylcyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 114314669
1-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369479
N-[(2S)-2-hydroxypropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 83030886

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide (CID 155770366) is N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is CC1CCCC1(CNC(=O)c1cc2c(s1)CCCCCC2)C(=O)N(C)C.
What is the InChIKey of N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
The InChIKey is AJKHKAVTMCZJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-15-9-8-12-21(15,20(25)23(2)3)14-22-19(24)18-13-16-10-6-4-5-7-11-17(16)26-18/h13,15H,4-12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide?
N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide has a molecular weight of 376.57 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylcarbamoyl)-2-methylcyclopentyl]methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide is sourced from PubChem (CID 155770366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).