N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C17H19N3OS2 — CID 32634833

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1sccc1-n1cccc1)c1ccsc1
InChIInChI=1S/C17H19N3OS2/c1-19(2)15(13-5-9-22-12-13)11-18-17(21)16-14(6-10-23-16)20-7-3-4-8-20/h3-10,12,15H,11H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyDHJNYNVRNWMUIQ-OAHLLOKOSA-N
MW345.49 g/mol
LogP3.63
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 32634833) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID32634833
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1sccc1-n1cccc1)c1ccsc1
InChIInChI=1S/C17H19N3OS2/c1-19(2)15(13-5-9-22-12-13)11-18-17(21)16-14(6-10-23-16)20-7-3-4-8-20/h3-10,12,15H,11H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyDHJNYNVRNWMUIQ-OAHLLOKOSA-N
XLogP3.63
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33093022
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-pyrazol-1-ylacetamide
CID 94021120
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 32634833) is N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is CN(C)[C@H](CNC(=O)c1sccc1-n1cccc1)c1ccsc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is DHJNYNVRNWMUIQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-19(2)15(13-5-9-22-12-13)11-18-17(21)16-14(6-10-23-16)20-7-3-4-8-20/h3-10,12,15H,11H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 32634833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).