4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide

C17H22N2OS2 — CID 46522629

IUPAC4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(c2cccs2)N2CCCC2)sc1C
InChIInChI=1S/C17H22N2OS2/c1-12-10-16(22-13(12)2)17(20)18-11-14(15-6-5-9-21-15)19-7-3-4-8-19/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,18,20)
InChIKeyIZDHXHUXJHBVMB-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.99
Rot. Bonds5

About 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide

4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 46522629) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID46522629
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(c2cccs2)N2CCCC2)sc1C
InChIInChI=1S/C17H22N2OS2/c1-12-10-16(22-13(12)2)17(20)18-11-14(15-6-5-9-21-15)19-7-3-4-8-19/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,18,20)
InChIKeyIZDHXHUXJHBVMB-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 46522611
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-3-carboxamide
CID 39987542
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
3,4,6-trimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 24640429
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 46522629) is 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCC(c2cccs2)N2CCCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is IZDHXHUXJHBVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-12-10-16(22-13(12)2)17(20)18-11-14(15-6-5-9-21-15)19-7-3-4-8-19/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide?
4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 334.51 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 46522629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).