N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

C15H20N2O2S — CID 126820059

IUPACN-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCCO)c(-n2cccc2)s1
InChIInChI=1S/C15H20N2O2S/c1-12-11-13(14(19)16(2)7-5-6-10-18)15(20-12)17-8-3-4-9-17/h3-4,8-9,11,18H,5-7,10H2,1-2H3
InChIKeyYDSHTMTUUHVSNC-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.69
Rot. Bonds6

About N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide

N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (PubChem CID 126820059) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
PubChem CID126820059
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCCO)c(-n2cccc2)s1
InChIInChI=1S/C15H20N2O2S/c1-12-11-13(14(19)16(2)7-5-6-10-18)15(20-12)17-8-3-4-9-17/h3-4,8-9,11,18H,5-7,10H2,1-2H3
InChIKeyYDSHTMTUUHVSNC-UHFFFAOYSA-N
XLogP2.69
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 107202135
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
CID 107202593
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
methyl 4-[(2-bromo-5-methylthiophene-3-carbonyl)-methylamino]butanoate
CID 75426660
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide (CID 126820059) is N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is Cc1cc(C(=O)N(C)CCCCO)c(-n2cccc2)s1.
What is the InChIKey of N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
The InChIKey is YDSHTMTUUHVSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-11-13(14(19)16(2)7-5-6-10-18)15(20-12)17-8-3-4-9-17/h3-4,8-9,11,18H,5-7,10H2,1-2H3.
What are the key properties of N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide?
N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-N,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide is sourced from PubChem (CID 126820059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).