N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

C26H36N2OS — CID 46071896

IUPACN-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)N(CC1CN(Cc2sccc2C)CC1c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C26H36N2OS/c1-19-9-11-22(12-10-19)25-17-27(18-26-20(2)13-14-30-26)15-23(25)16-28(21(3)29)24-7-5-4-6-8-24/h9-14,23-25H,4-8,15-18H2,1-3H3
InChIKeyMPLTXDWSYRTIGS-UHFFFAOYSA-N
MW424.65 g/mol
LogP5.76
Rot. Bonds6

About N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 46071896) has the molecular formula C26H36N2OS and a molecular weight of 424.65 g/mol. Its IUPAC name is N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID46071896
Molecular FormulaC26H36N2OS
Molecular Weight424.65 g/mol
Exact Mass424.25
IUPAC NameN-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCC(=O)N(CC1CN(Cc2sccc2C)CC1c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C26H36N2OS/c1-19-9-11-22(12-10-19)25-17-27(18-26-20(2)13-14-30-26)15-23(25)16-28(21(3)29)24-7-5-4-6-8-24/h9-14,23-25H,4-8,15-18H2,1-3H3
InChIKeyMPLTXDWSYRTIGS-UHFFFAOYSA-N
XLogP5.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-(2-thienyl)methanone
CID 489822
(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N,N-Diethyl-4-{phenyl-[8-(2-thiophen-2-yl-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-methyl}-benzamide
CID 10206324
(4-Tert-butylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16312479
1-benzyl-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 24980824
(1S,2S)-2-[Methyl-(2''''-trifluoromethyl-biphenyl-4-ylmethyl)-amino]-cyclopentanecarboxylic acid [2,2'''']bithiophenyl-5-ylmethyl-methyl-amide
CID 44391627
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]-3-methylbutan-1-one
CID 155536757
1-[8-(Dimethylamino)-8-(3-methylthiophen-2-yl)-2-azaspiro[4.5]decan-2-yl]butan-1-one
CID 155537352
Thiophene-2-carboxylic acid [1-(3,3-diphenyl-propyl)-piperidin-4-yl]-methyl-amide
CID 44392078
1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 44448393
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 46071896) is N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is CC(=O)N(CC1CN(Cc2sccc2C)CC1c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is MPLTXDWSYRTIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2OS/c1-19-9-11-22(12-10-19)25-17-27(18-26-20(2)13-14-30-26)15-23(25)16-28(21(3)29)24-7-5-4-6-8-24/h9-14,23-25H,4-8,15-18H2,1-3H3.
What are the key properties of N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 424.65 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[[4-(4-methylphenyl)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 46071896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).