N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide

C19H21N3OS — CID 141192454

IUPACN-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
SMILESCN1CCC[C@H]1Cn1ccc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C19H21N3OS/c1-21-9-2-4-16(21)13-22-10-8-14-12-15(6-7-17(14)22)20-19(23)18-5-3-11-24-18/h3,5-8,10-12,16H,2,4,9,13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyCOFRJOOOIUCCFA-INIZCTEOSA-N
MW339.46 g/mol
LogP4.05
Rot. Bonds4

About N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide

N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide (PubChem CID 141192454) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
PubChem CID141192454
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide
SMILESCN1CCC[C@H]1Cn1ccc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C19H21N3OS/c1-21-9-2-4-16(21)13-22-10-8-14-12-15(6-7-17(14)22)20-19(23)18-5-3-11-24-18/h3,5-8,10-12,16H,2,4,9,13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyCOFRJOOOIUCCFA-INIZCTEOSA-N
XLogP4.05
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(1-thiophen-2-ylethenyl)indol-5-amine;molecular hydrogen
CID 143559877
N-[1-[3-(dimethylamino)propyl]indol-5-yl]thiophene-2-carboxamide
CID 141192457
N-(1-ethylindol-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 47083781
N-(3-methyl-2-nitrophenyl)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-5-amine
CID 56995113
5-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole
CID 167666538
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429
N'-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-5-yl]thiophene-2-carboximidamide
CID 24759031
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 113015495
N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091651
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
2-[5-[[cyclopentyl(thiophen-2-yl)methyl]carbamoylamino]indol-1-yl]-N,N-dimethylacetamide
CID 56566505
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide (CID 141192454) is N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide is CN1CCC[C@H]1Cn1ccc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide?
The InChIKey is COFRJOOOIUCCFA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-21-9-2-4-16(21)13-22-10-8-14-12-15(6-7-17(14)22)20-19(23)18-5-3-11-24-18/h3,5-8,10-12,16H,2,4,9,13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide?
N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 141192454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).