N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C16H16N2OS2 — CID 112810405

IUPACN-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C16H16N2OS2/c1-2-17(12-13-6-5-10-20-13)16(19)15-14(7-11-21-15)18-8-3-4-9-18/h3-11H,2,12H2,1H3
InChIKeyJQVJEENXKVNTKO-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.26
Rot. Bonds5

About N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 112810405) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID112810405
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC NameN-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1sccc1-n1cccc1
InChIInChI=1S/C16H16N2OS2/c1-2-17(12-13-6-5-10-20-13)16(19)15-14(7-11-21-15)18-8-3-4-9-18/h3-11H,2,12H2,1H3
InChIKeyJQVJEENXKVNTKO-UHFFFAOYSA-N
XLogP4.26
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4-amino-N-ethyl-2-[ethyl(methyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663361
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 112810405) is N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is CCN(Cc1cccs1)C(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JQVJEENXKVNTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-2-17(12-13-6-5-10-20-13)16(19)15-14(7-11-21-15)18-8-3-4-9-18/h3-11H,2,12H2,1H3.
What are the key properties of N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 112810405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).