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

C14H18N2O2S — CID 65114528

IUPACN-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H18N2O2S/c1-3-14(2,18)10-15-13(17)12-11(6-9-19-12)16-7-4-5-8-16/h4-9,18H,3,10H2,1-2H3,(H,15,17)
InChIKeyOVWSPKRGZALGMF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.43
Rot. Bonds5

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

N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 65114528) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID65114528
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C14H18N2O2S/c1-3-14(2,18)10-15-13(17)12-11(6-9-19-12)16-7-4-5-8-16/h4-9,18H,3,10H2,1-2H3,(H,15,17)
InChIKeyOVWSPKRGZALGMF-UHFFFAOYSA-N
XLogP2.43
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 80642213
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
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
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid
CID 62041572
N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 37397786
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 51076208
2-[tert-butyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79262023
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 32634833

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 65114528) is N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide is CCC(C)(O)CNC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is OVWSPKRGZALGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-14(2,18)10-15-13(17)12-11(6-9-19-12)16-7-4-5-8-16/h4-9,18H,3,10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 65114528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).