1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C15H18N2O2S — CID 131932038

IUPAC1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CC1)N(CCO)Cc1cccs1
InChIInChI=1S/C15H18N2O2S/c18-9-8-16(11-13-3-2-10-20-13)15(19)14-4-1-7-17(14)12-5-6-12/h1-4,7,10,12,18H,5-6,8-9,11H2
InChIKeyONJNNDMVAWSOON-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.52
Rot. Bonds6

About 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 131932038) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID131932038
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(c1cccn1C1CC1)N(CCO)Cc1cccs1
InChIInChI=1S/C15H18N2O2S/c18-9-8-16(11-13-3-2-10-20-13)15(19)14-4-1-7-17(14)12-5-6-12/h1-4,7,10,12,18H,5-6,8-9,11H2
InChIKeyONJNNDMVAWSOON-UHFFFAOYSA-N
XLogP2.52
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 113356717
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 107483136
N-(2-hydroxyethyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 131918159
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107479360
1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
CID 77088699
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 95203771
2-[4-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 168975865
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 42525623
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 131932038) is 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is O=C(c1cccn1C1CC1)N(CCO)Cc1cccs1.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is ONJNNDMVAWSOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-9-8-16(11-13-3-2-10-20-13)15(19)14-4-1-7-17(14)12-5-6-12/h1-4,7,10,12,18H,5-6,8-9,11H2.
What are the key properties of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 131932038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).