N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide

C15H18N2O2S2 — CID 4786469

IUPACN-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)s1
InChIInChI=1S/C15H18N2O2S2/c1-3-17(15(19)13-7-6-11(2)21-13)10-14(18)16-9-12-5-4-8-20-12/h4-8H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyUESGGTMIMXIGGO-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.90
Rot. Bonds6

About N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide

N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 4786469) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide
PubChem CID4786469
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC NameN-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)s1
InChIInChI=1S/C15H18N2O2S2/c1-3-17(15(19)13-7-6-11(2)21-13)10-14(18)16-9-12-5-4-8-20-12/h4-8H,3,9-10H2,1-2H3,(H,16,18)
InChIKeyUESGGTMIMXIGGO-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide (CID 4786469) is N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)s1.
What is the InChIKey of N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is UESGGTMIMXIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-3-17(15(19)13-7-6-11(2)21-13)10-14(18)16-9-12-5-4-8-20-12/h4-8H,3,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide?
N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4786469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).