N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

C15H20N2O2S — CID 61246350

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)9-12(10-18)16-15(19)14-13(5-8-20-14)17-6-3-4-7-17/h3-8,11-12,18H,9-10H2,1-2H3,(H,16,19)
InChIKeyNSTLYCNOQIKPDA-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.68
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 61246350) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID61246350
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(C)CC(CO)NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)9-12(10-18)16-15(19)14-13(5-8-20-14)17-6-3-4-7-17/h3-8,11-12,18H,9-10H2,1-2H3,(H,16,19)
InChIKeyNSTLYCNOQIKPDA-UHFFFAOYSA-N
XLogP2.68
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
(2S)-4-methyl-2-[[2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695671
N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 31302201
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
CID 107822891
N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 123197018
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 64792811
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid
CID 62041572

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 61246350) is N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is CC(C)CC(CO)NC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is NSTLYCNOQIKPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(2)9-12(10-18)16-15(19)14-13(5-8-20-14)17-6-3-4-7-17/h3-8,11-12,18H,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 61246350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).