N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide

C10H10N2OS — CID 3694864

IUPACN-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C10H10N2OS/c1-11-10(13)9-8(4-7-14-9)12-5-2-3-6-12/h2-7H,1H3,(H,11,13)
InChIKeyBZLBHTVSVNKAJO-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.90
Rot. Bonds2

About N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide

N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 3694864) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID3694864
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C10H10N2OS/c1-11-10(13)9-8(4-7-14-9)12-5-2-3-6-12/h2-7H,1H3,(H,11,13)
InChIKeyBZLBHTVSVNKAJO-UHFFFAOYSA-N
XLogP1.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 51076208
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
4-methyl-4-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]pentanoic acid
CID 62041572
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
N'-(2-chlorobenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 3779549
N-[1-(4-acetylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 123197018
N-(1-hydroxy-4-methylpentan-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 61246350
N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 31302201
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide (CID 3694864) is N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide is CNC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is BZLBHTVSVNKAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-11-10(13)9-8(4-7-14-9)12-5-2-3-6-12/h2-7H,1H3,(H,11,13).
What are the key properties of N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide?
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 206.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 3694864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).