N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C13H15N3O2S — CID 51076208

IUPACN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C13H15N3O2S/c1-14-11(17)9-15(2)13(18)12-10(5-8-19-12)16-6-3-4-7-16/h3-8H,9H2,1-2H3,(H,14,17)
InChIKeyWXUZQNLNABUGFQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.36
Rot. Bonds4

About N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 51076208) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID51076208
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCNC(=O)CN(C)C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C13H15N3O2S/c1-14-11(17)9-15(2)13(18)12-10(5-8-19-12)16-6-3-4-7-16/h3-8H,9H2,1-2H3,(H,14,17)
InChIKeyWXUZQNLNABUGFQ-UHFFFAOYSA-N
XLogP1.36
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
2-[tert-butyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79262023
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 60825076
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-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 112810405
2-[prop-2-enyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 79264069
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
N-(4-ethyl-1H-pyrazol-5-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104620359

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 51076208) is N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is CNC(=O)CN(C)C(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is WXUZQNLNABUGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-14-11(17)9-15(2)13(18)12-10(5-8-19-12)16-6-3-4-7-16/h3-8H,9H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 51076208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).