N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C16H14N2O2S — CID 64792811

IUPACN-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1sccc1-n1cccc1
InChIInChI=1S/C16H14N2O2S/c19-11-12-3-5-13(6-4-12)17-16(20)15-14(7-10-21-15)18-8-1-2-9-18/h1-10,19H,11H2,(H,17,20)
InChIKeySNMGGCLOKLQKSM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.28
Rot. Bonds4

About N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 64792811) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID64792811
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1sccc1-n1cccc1
InChIInChI=1S/C16H14N2O2S/c19-11-12-3-5-13(6-4-12)17-16(20)15-14(7-10-21-15)18-8-1-2-9-18/h1-10,19H,11H2,(H,17,20)
InChIKeySNMGGCLOKLQKSM-UHFFFAOYSA-N
XLogP3.28
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 138999302
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624578
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474607
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104620359
(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
CID 107822891
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 3-pyrrol-1-ylthiophene-2-carboxylate
CID 17476112
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 64792811) is N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(Nc1ccc(CO)cc1)c1sccc1-n1cccc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is SNMGGCLOKLQKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-11-12-3-5-13(6-4-12)17-16(20)15-14(7-10-21-15)18-8-1-2-9-18/h1-10,19H,11H2,(H,17,20).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 64792811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).