N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C19H26N2O2S — CID 109400153

IUPACN-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCC2O)c(C)n1Cc1cccs1
InChIInChI=1S/C19H26N2O2S/c1-13-10-17(14(2)21(13)12-16-7-5-9-24-16)19(23)20(3)11-15-6-4-8-18(15)22/h5,7,9-10,15,18,22H,4,6,8,11-12H2,1-3H3
InChIKeyDZIMNTRNIGASKA-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 109400153) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID109400153
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCC2O)c(C)n1Cc1cccs1
InChIInChI=1S/C19H26N2O2S/c1-13-10-17(14(2)21(13)12-16-7-5-9-24-16)19(23)20(3)11-15-6-4-8-18(15)22/h5,7,9-10,15,18,22H,4,6,8,11-12H2,1-3H3
InChIKeyDZIMNTRNIGASKA-UHFFFAOYSA-N
XLogP3.45
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 71902145
N-(2-cyclopentylethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55564357
2,5-dimethyl-N-[(4-methylcyclohexyl)methyl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 142228295
N-(1-adamantyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381187
N-(3-hydroxybutyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 111428991
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8960142
[2-(cyclopentylamino)-2-oxoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 8508652
N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71909794
[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate
CID 2508883
N'-benzoyl-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbohydrazide
CID 78806087
2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 166201437
(2-oxo-2-piperidin-1-ylethyl) 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate
CID 55378821

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 109400153) is N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CCCC2O)c(C)n1Cc1cccs1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is DZIMNTRNIGASKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13-10-17(14(2)21(13)12-16-7-5-9-24-16)19(23)20(3)11-15-6-4-8-18(15)22/h5,7,9-10,15,18,22H,4,6,8,11-12H2,1-3H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N,2,5-trimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 109400153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).