4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide

C12H16N2O2S — CID 75770167

IUPAC4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCC(C)O)cc2sccc21
InChIInChI=1S/C12H16N2O2S/c1-3-14-9-4-5-17-11(9)6-10(14)12(16)13-7-8(2)15/h4-6,8,15H,3,7H2,1-2H3,(H,13,16)
InChIKeyQGPKCBUXPOCUMJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.83
Rot. Bonds4

About 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide

4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 75770167) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID75770167
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCC(C)O)cc2sccc21
InChIInChI=1S/C12H16N2O2S/c1-3-14-9-4-5-17-11(9)6-10(14)12(16)13-7-8(2)15/h4-6,8,15H,3,7H2,1-2H3,(H,13,16)
InChIKeyQGPKCBUXPOCUMJ-UHFFFAOYSA-N
XLogP1.83
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 75768805
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 75767553
4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038960
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038838
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
N-(2,2-dimethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 82017354
(4-ethylthieno[3,2-b]pyrrol-5-yl)-piperidin-1-ylmethanone
CID 6619973
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039009
4-methyl-N-[2-[(4-methylthieno[3,2-b]pyrrole-5-carbonyl)amino]ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 6487946
N-(2,2-diethoxyethyl)-1-(4-ethylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 82017353

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 75770167) is 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide is CCn1c(C(=O)NCC(C)O)cc2sccc21.
What is the InChIKey of 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is QGPKCBUXPOCUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-14-9-4-5-17-11(9)6-10(14)12(16)13-7-8(2)15/h4-6,8,15H,3,7H2,1-2H3,(H,13,16).
What are the key properties of 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 75770167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).