N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

C16H20N2O2S2 — CID 24901562

IUPACN,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc(C)c1C
InChIInChI=1S/C16H20N2O2S2/c1-5-18(6-2)16(20)13-10(3)11(4)22-15(13)17-14(19)12-8-7-9-21-12/h7-9H,5-6H2,1-4H3,(H,17,19)
InChIKeyXZNWOAGEUGPEPT-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.16
Rot. Bonds5

About N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 24901562) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID24901562
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc(C)c1C
InChIInChI=1S/C16H20N2O2S2/c1-5-18(6-2)16(20)13-10(3)11(4)22-15(13)17-14(19)12-8-7-9-21-12/h7-9H,5-6H2,1-4H3,(H,17,19)
InChIKeyXZNWOAGEUGPEPT-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (CID 24901562) is N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc(C)c1C.
What is the InChIKey of N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is XZNWOAGEUGPEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-5-18(6-2)16(20)13-10(3)11(4)22-15(13)17-14(19)12-8-7-9-21-12/h7-9H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-dimethyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 24901562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).