5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide

C11H17N3O2S — CID 104923448

IUPAC5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
SMILESCCN(C)C(=O)CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H17N3O2S/c1-3-14(2)10(15)6-13-5-9-4-8(7-17-9)11(12)16/h4,7,13H,3,5-6H2,1-2H3,(H2,12,16)
InChIKeyRGMOEFVWGSXRQZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.41
Rot. Bonds6

About 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide

5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide (PubChem CID 104923448) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
PubChem CID104923448
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide
SMILESCCN(C)C(=O)CNCc1cc(C(N)=O)cs1
InChIInChI=1S/C11H17N3O2S/c1-3-14(2)10(15)6-13-5-9-4-8(7-17-9)11(12)16/h4,7,13H,3,5-6H2,1-2H3,(H2,12,16)
InChIKeyRGMOEFVWGSXRQZ-UHFFFAOYSA-N
XLogP0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorothiophen-2-yl)methylamino]-N-ethyl-N-methylacetamide
CID 107166864
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629
5-[(2,2-diethoxyethylamino)methyl]thiophene-3-carboxamide
CID 79614481
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]thiophene-3-carboxamide
CID 79614227
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
5-propylthiophene-3-carboxamide
CID 141324975

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide (CID 104923448) is 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide is CCN(C)C(=O)CNCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide?
The InChIKey is RGMOEFVWGSXRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-14(2)10(15)6-13-5-9-4-8(7-17-9)11(12)16/h4,7,13H,3,5-6H2,1-2H3,(H2,12,16).
What are the key properties of 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide?
5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 104923448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).