N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C13H16N2O2S — CID 65031882

IUPACN-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(CO)CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C13H16N2O2S/c1-10(9-16)8-14-13(17)12-11(4-7-18-12)15-5-2-3-6-15/h2-7,10,16H,8-9H2,1H3,(H,14,17)
InChIKeyIEWFMHUVKXZAHX-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.90
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 65031882) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID65031882
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(CO)CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C13H16N2O2S/c1-10(9-16)8-14-13(17)12-11(4-7-18-12)15-5-2-3-6-15/h2-7,10,16H,8-9H2,1H3,(H,14,17)
InChIKeyIEWFMHUVKXZAHX-UHFFFAOYSA-N
XLogP1.90
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 61246350
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 32634833
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
(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-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24625349
(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
CID 107822891

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 65031882) is N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide is CC(CO)CNC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is IEWFMHUVKXZAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-10(9-16)8-14-13(17)12-11(4-7-18-12)15-5-2-3-6-15/h2-7,10,16H,8-9H2,1H3,(H,14,17).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 65031882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).